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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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59596 24877537 1 F2N3O3C19H19 A2B3C3D19E19 -143.6 4.06 -8.78 -1.18 0
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59597 24877539 1 F2N3O4H17C18 A2B3C4D17E18 -181.11 1.83 -8.86 -1.37 0
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59598 24877540 1 NS2O4C18H25 AB2C4D18E25 -180.0 4.29 -9.01 -0.17 0
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59599 24877816 2 O5N9C23H35 A5B9C23D35 -335.71 4.55 -8.63 -0.38 0
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59600 24877992 1 FN4H19C23 AB4C19D23 83.96 4.12 -8.85 -0.64 0
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59601 24878525 1 SN2O5C21H30 AB2C5D21E30 -226.97 5.32 -8.79 -0.41 0
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59602 24878760 1 BrN3O6C25H28 AB3C6D25E28 -220.44 4.36 -9.23 -1.45 0
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59603 24879951 1 ClO4F6N12C16H19 AB4C6D12E16F19 -298.14 2.81 -8.99 -0.92 0
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59604 24880704 2 N2O2C15H19 A2B2C15D19 -91.78 3.55 -8.66 -0.6 0
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59605 24883216 1 ClFN2O3H30C33 ABC2D3E30F33 -86.45 4.32 -7.84 -0.97 0
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59606 24883437 1 H2O2S3 A2B2C3 -74.35 2.14 -10.09 -2.07 0
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59607 24883851 1 SN2O2C19H22 AB2C2D19E22 0.46 8.14 -8.41 -1.58 0
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59608 24885226 1 O6C25H30 A6B25C30 -224.82 7.6 -9.1 -1.21 0
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59609 24888366 1 BrNCl2O5H20C21 ABC2D5E20F21 -193.29 5.02 -9.37 -1.4 0
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59610 24888369 1 ClFN6C26H28 ABC6D26E28 50.41 4.01 -8.27 -0.64 0
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59611 24890406 1 ClON6C27H31 ABC6D27E31 61.32 4.75 -7.53 -0.48 0
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59612 24890416 1 ClO2C11H15 AB2C11D15 -77.17 3.82 -9.31 0.29 0
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59613 24890432 1 OSN8C22H26 ABC8D22E26 86.69 7.6 -8.98 -1.44 0
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59614 24890453 1 ClSO2N4C18H19 ABC2D4E18F19 -1.79 6.9 -8.47 -0.95 0
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59615 24890462 1 NO3F7C27H28 AB3C7D27E28 -488.54 4.24 -9.67 -1.28 0
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59616 24890468 1 ON8C24H28 AB8C24D28 96.48 7.08 -8.09 -1.32 0
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59617 24890472 1 S2O3N4C21H26 A2B3C4D21E26 -55.65 6.3 -9.6 -0.9 0
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59618 24890485 1 O2F3N7H18C25 A2B3C7D18E25 -43.34 4.87 -9.9 -1.75 0
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59619 24890494 1 N4O5C18H18 A4B5C18D18 -99.99 4.53 -8.63 -1.08 0
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59620 24890506 1 ClN3O4C26H32 AB3C4D26E32 -111.13 2.5 -7.96 -1.03 0
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59621 24890539 1 ClO2F3N4C26H30 AB2C3D4E26F30 -185.97 7.49 -8.63 -1.16 0
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59622 24890550 1 S5N13O19H61C62 A5B13C19D61E62 -450.65 12.41 -8.96 -1.89 0
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59623 24890554 1 S5N15O18C66H71 A5B15C18D66E71 -412.04 18.1 -8.78 -1.92 0
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59624 24890560 1 NO2F6C13H15 AB2C6D13E15 -404.23 4.04 -9.4 -0.48 0
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59625 24890579 1 SO2N6C30H34 AB2C6D30E34 34.39 3.97 -8.29 -0.71 0
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59626 24890597 1 FSN2O2C20H23 ABC2D2E20F23 -94.43 1.9 -8.83 -0.77 0
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59627 24890613 1 N8C19H22 A8B19C22 114.8 3.31 -9.03 -1.22 0
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59628 24890617 1 N6O11C43H62 A6B11C43D62 -351.01 4.56 -9.0 -1.28 0
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59629 24890651 2 N3O6C21H23 A3B6C21D23 -427.87 7.26 -8.26 -2.17 0
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59630 24890736 1 NF3C10H12 AB3C10D12 -143.89 2.03 -9.26 -0.48 0
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59631 24890741 1 ClN2O10C38H57 AB2C10D38E57 -394.22 3.74 -8.96 -0.25 0
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59632 24890985 1 NS2O6C28H31 AB2C6D28E31 -191.61 5.68 -7.87 -0.85 0
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59633 24891016 1 SO2F3N3H16C24 AB2C3D3E16F24 -103.21 3.11 -9.56 -1.51 0
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59634 24891031 1 SN15O16C46H79 AB15C16D46E79 -753.69 7.15 -9.44 -0.44 0
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59635 24891045 1 FSO3N4C25H27 ABC3D4E25F27 -101.35 4.72 -8.76 -0.95 0
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59636 24891094 1 ClN2O4H13C15 AB2C4D13E15 -129.35 6.83 -9.84 -1.07 0
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59637 24891123 1 SO3N4C14H14 AB3C4D14E14 -41.67 9.98 -9.02 -1.39 0
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59638 24891245 1 ClN2O3H13C15 AB2C3D13E15 -78.17 2.74 -9.78 -1.06 0
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59639 24891248 1 FSO2N5C25H26 ABC2D5E25F26 -62.16 2.28 -8.83 -0.97 0
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59640 24891306 1 FSO2N6C24H25 ABC2D6E24F25 -38.42 3.11 -9.03 -1.16 0
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59641 24891319 1 N4O5C27H36 A4B5C27D36 -174.08 3.81 -8.46 -0.07 0
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59642 24891326 1 NO5C13H13 AB5C13D13 -178.56 6.45 -9.82 -0.98 0
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59643 24891339 1 NO6C16H23 AB6C16D23 -211.87 2.8 -8.67 -0.64 0
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59644 24891366 2 NO2H9C10 AB2C9D10 -101.23 7.93 -8.74 -1.03 0
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59645 24891405 1 N4O5C27H38 A4B5C27D38 -191.62 6.49 -8.29 -0.48 0
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59646 24891413 1 N3O3C24H25 A3B3C24D25 -53.16 6.08 -8.91 -1.08 0
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59647 24891459 2 ON2C11H12 AB2C11D12 6.0 4.87 -8.32 -0.77 0
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59648 24891479 1 SN3O5H29C31 AB3C5D29E31 -94.27 2.53 -7.9 -1.6 0
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59649 24891504 1 ClOSN3C23H26 ABCD3E23F26 -9.81 4.54 -8.74 -0.72 0
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59650 24891509 1 ClOSN4C22H25 ABCD4E22F25 4.51 4.58 -8.58 -0.64 0
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59651 24891513 1 ClOF3N4H16C17 ABC3D4E16F17 -150.75 7.45 -9.31 -0.71 0
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59652 24891523 1 N3O3C25H31 A3B3C25D31 -56.94 3.57 -9.05 0.02 0
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59653 24891607 1 S2N4O4C25H30 A2B4C4D25E30 -87.34 13.37 -8.83 -0.97 0
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59654 24891618 1 OF3N5H14C17 AB3C5D14E17 -98.17 7.27 -9.48 -1.16 0
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59655 24891962 1 BrSN3O3C17H20 ABC3D3E17F20 -56.2 9.18 -8.72 -0.93 0
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59656 24891968 1 SN3O6C24H27 AB3C6D24E27 -186.31 8.55 -8.04 -0.66 0
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59657 24892025 1 ClS2O3N4C27H37 AB2C3D4E27F37 -107.84 5.73 -8.88 -0.99 0
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59658 24892130 1 O2S2N5H19C20 A2B2C5D19E20 19.9 6.58 -8.76 -1.1 0
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59659 24892236 1 N2S2O4C19H20 A2B2C4D19E20 -98.92 4.31 -8.67 -0.62 0
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59660 24892276 1 N2F3O6C25H25 A2B3C6D25E25 -369.85 7.86 -9.22 -0.55 0
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59661 24892362 1 N2S2O5H18C19 A2B2C5D18E19 -136.5 6.08 -9.16 -1.34 0
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59662 24892393 1 N4O4C27H30 A4B4C27D30 -80.04 5.28 -8.77 -0.68 0
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59663 24892476 1 ClF3O3N5C27H27 AB3C3D5E27F27 -213.03 2.18 -8.97 -1.0 0
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59664 24892588 1 S2N3O5C22H25 A2B3C5D22E25 -123.48 2.98 -8.43 -0.93 0
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59665 24892596 1 SO4N5C23H23 AB4C5D23E23 -98.33 3.19 -8.74 -1.21 1
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59666 24892761 1 SeO5N6C15H23 AB5C6D15E23 -138.0 4.59 0.0 0.0 0
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59667 24892783 1 P2N5O11C15H23 A2B5C11D15E23 -539.7 4.56 -9.0 -0.65 0
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59668 24892816 1 NaS2N5O10C28H44 AB2C5D10E28F44 -456.43 15.03 -8.67 -0.55 1
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59669 24892873 1 FN2C14H14 AB2C14D14 17.75 3.47 0.0 0.0 0
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59670 24892894 1 BrO2C17H17 AB2C17D17 -35.49 1.74 -9.61 -0.06 1