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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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327351 126689645 1 NO4C21H41 AB4C21D41 -253.74 6.33 -9.63 0.72 0
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327352 126689647 1 ClNaPC4O4H10 ABCD4E4F10 -299.27 8.25 0.0 0.0 0
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327353 126689650 1 ClPC2Na2H4O4 ABC2D2E4F4 -326.37 8.24 -8.65 0.67 0
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327354 126689661 1 N2O3C21H42 A2B3C21D42 -207.63 8.31 -9.76 0.64 0
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327355 126689670 1 ON2C24H50 AB2C24D50 -145.56 4.66 -9.03 1.54 0
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327356 126689675 1 N2O3C20H40 A2B3C20D40 -205.13 5.56 -9.35 0.84 0
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327357 126689676 1 N2O3C20H40 A2B3C20D40 -187.74 9.51 -9.4 0.0 1
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327358 126689677 1 N2O3C20H41 A2B3C20D41 -178.22 5.98 0.0 0.0 0
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327359 126689678 1 PNa2C3H5O5 AB2C3D5E5 -326.12 7.9 -8.57 0.84 0
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327360 126689679 1 NaPC3O5H7 ABC3D5E7 -266.32 9.25 0.0 0.0 0
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327361 126689685 1 NO4C20H39 AB4C20D39 -239.97 10.32 -9.23 0.29 0
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327362 126689687 1 SN2O4C22H46 AB2C4D22E46 -211.18 15.99 -8.48 -0.57 0
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327363 126689689 1 NO4C20H39 AB4C20D39 -229.55 10.66 -9.44 -0.11 1
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327364 126689692 1 SN2O5C27H57 AB2C5D27E57 -300.93 8.2 0.0 0.0 0
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327365 126689693 1 NO2C19H39 AB2C19D39 -161.66 1.83 -8.63 0.85 0
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327366 126689694 1 ON2C9H18 AB2C9D18 -39.58 5.78 -8.85 0.58 0
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327367 126689700 1 S5O6H42C103 A5B6C42D103 1605.45 5.33 -7.69 -1.83 0
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327368 126689706 1 O2N3C19H23 A2B3C19D23 -17.01 4.8 -8.32 0.3 0
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327369 126689707 1 OF4N5C31H37 AB4C5D31E37 -142.62 4.5 -8.83 -1.02 0
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327370 126689710 1 NOC12H15 ABC12D15 -2.66 3.17 -10.1 -0.87 0
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327371 126689711 1 NOC12H13 ABC12D13 22.79 2.28 -10.04 -0.88 0
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327372 126689712 1 FNO3H4C7 ABC3D4E7 -78.7 3.04 -10.02 -2.19 0
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327373 126689713 1 F4O5N7H41C42 A4B5C7D41E42 -256.39 5.12 -9.51 -1.53 0
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327374 126689714 1 FO3N5C16H20 AB3C5D16E20 -37.62 7.4 -8.72 -1.39 0
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327375 126689716 2 F2N2O2H14C15 A2B2C2D14E15 -281.27 6.81 -9.43 -1.27 0
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327376 126689719 1 F3O3N4H23C28 A3B3C4D23E28 -141.4 3.32 -8.93 -1.45 0
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327377 126689723 1 F3N5O6C37H42 A3B5C6D37E42 -348.12 10.18 -9.09 -0.95 0
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327378 126689740 1 O2F3N5H32C33 A2B3C5D32E33 -84.81 4.08 -8.94 -1.45 0
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327379 126689742 1 F3O4N5C35H38 A3B4C5D35E38 -234.0 4.01 -9.06 -1.01 0
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327380 126689746 1 F3O3N5C35H38 A3B3C5D35E38 -184.04 7.7 -9.15 -0.92 0
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327381 126689750 1 F3N4O4C33H33 A3B4C4D33E33 -200.7 5.24 -8.28 -1.42 0
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327382 126689757 1 O2N4F5H15C25 A2B4C5D15E25 -181.88 3.4 -9.32 -1.48 0
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327383 126689759 1 O2F3N6H23C31 A2B3C6D23E31 -55.15 6.14 -9.28 -1.44 0
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327384 126689762 1 F3O3N5C35H38 A3B3C5D35E38 -188.01 4.4 -9.08 -1.1 0
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327385 126689763 1 O2F3N4H19C26 A2B3C4D19E26 -96.88 6.17 -9.38 -1.56 0
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327386 126689764 1 OF4N7H27C29 AB4C7D27E29 -83.85 6.84 -9.5 -1.28 0
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327387 126689767 2 OC9H9 AB9C9 -8.41 0.83 -8.46 -0.23 0
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327388 126689769 2 N2H11C17 A2B11C17 206.09 2.07 -8.42 -1.17 0
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327389 126689774 1 S3O4C54H76 A3B4C54D76 -169.68 2.56 -8.14 -1.35 0
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327390 126689778 1 O2N5C21H25 A2B5C21D25 -21.55 2.31 -8.15 -0.37 0
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327391 126689779 1 IO2C7H9 AB2C7D9 -75.7 1.38 -10.22 -1.7 0
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327392 126689781 1 S2O5C51H70 A2B5C51D70 -190.79 2.08 -8.25 -1.18 0
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327393 126689782 1 IC12H17 AB12C17 30.02 2.44 -9.34 -0.56 0
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327394 126689783 1 FI2O2N6C29H33 AB2C2D6E29F33 -1.99 2.72 -8.89 -1.55 0
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327395 126689786 1 FO2S2N7C25H28 AB2C2D7E25F28 1.8 6.27 -8.59 -1.03 0
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327396 126689788 1 FS2O4N6C25H29 AB2C4D6E25F29 -110.26 1.35 -8.83 -1.14 0
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327397 126689789 1 FOSN6C17H21 ABCD6E17F21 -8.63 3.91 -8.06 -0.47 0
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327398 126689790 1 O5C19H38 A5B19C38 -303.46 2.68 -10.38 0.34 0
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327399 126689791 1 O5C19H38 A5B19C38 -303.55 3.63 -10.39 0.36 0
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327400 126689794 1 FS2N7C25H26 AB2C7D25E26 112.15 7.26 -8.66 -1.05 0
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327401 126689799 1 O5C21H42 A5B21C42 -313.47 2.76 -10.38 0.35 0
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327402 126689801 1 FOS2N7C25H30 ABC2D7E25F30 52.9 2.57 -8.55 -0.92 0
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327403 126689804 1 BrFSO2N5H17C20 ABCD2E5F17G20 16.73 4.27 -8.77 -1.44 0
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327404 126689805 1 O7C19H38 A7B19C38 -386.79 4.91 -10.18 0.38 0
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327405 126689807 3 O2C7H14 A2B7C14 -352.63 4.53 -10.43 0.34 0
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327406 126689809 1 O6C21H40 A6B21C40 -311.45 4.85 -10.18 0.35 0
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327407 126689810 1 O5C19H36 A5B19C36 -276.71 5.12 -9.69 0.37 0
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327408 126689816 1 O6C19H38 A6B19C38 -345.22 5.48 -10.21 0.52 0
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327409 126689822 1 O5C19H36 A5B19C36 -275.98 4.42 -9.58 0.5 0
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327410 126689824 1 OC14H22 AB14C22 -60.29 0.94 -8.35 0.44 0
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327411 126689827 1 N5O8C43H45 A5B8C43D45 -181.53 5.05 -8.61 -0.74 0
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327412 126689828 1 N5O5C39H39 A5B5C39D39 -45.92 4.4 -8.41 -0.84 0
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327413 126689829 1 N3O6H37C40 A3B6C37D40 -98.09 4.1 -8.54 -0.6 0
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327414 126689833 2 NO3C12H13 AB3C12D13 -190.89 6.18 -8.57 -0.66 0
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327415 126689835 1 N2O5C14H16 A2B5C14D16 -179.93 4.15 -8.83 -0.74 0
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327416 126689836 1 BrN2O5C17H21 AB2C5D17E21 -186.1 4.35 -8.89 -0.71 0
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327417 126689839 2 OC9H17 AB9C17 -158.0 3.38 -9.29 2.52 0
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327418 126689843 1 N5O6C43H43 A5B6C43D43 -90.67 8.89 -8.3 -0.9 0
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327419 126689844 1 O5C21H42 A5B21C42 -313.8 4.44 -10.33 0.49 0
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327420 126689846 1 N3O4H39C41 A3B4C39D41 -37.97 2.92 -8.17 -0.38 0
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327421 126689851 1 N3O4C21H23 A3B4C21D23 -105.72 1.91 -8.06 -0.56 0
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327422 126689854 1 N2C7H12 A2B7C12 27.77 2.27 -8.37 0.23 0
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327423 126689856 1 OC15H26 AB15C26 -88.98 1.67 -9.21 1.47 0
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327424 126689857 1 O5N6C16H26 A5B6C16D26 -179.4 6.42 -9.75 -0.86 0
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327425 126689868 1 N11O14C69H79 A11B14C69D79 -442.62 13.08 -8.2 -0.98 0