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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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64601 29203193 1 NO6C25H27 AB6C25D27 -205.53 7.23 -9.05 -1.01 0
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64602 29203201 1 FO3N4C18H21 AB3C4D18E21 -105.18 3.14 -9.55 -0.94 0
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64603 29203203 3 NOC7H7 ABC7D7 -25.99 2.51 -9.14 -1.5 0
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64604 29203206 1 SO3N5H25C27 AB3C5D25E27 2.98 2.49 -8.85 -1.31 0
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64605 29203207 1 N3O3C19H19 A3B3C19D19 -79.87 1.58 -8.57 -0.32 0
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64606 29203212 1 SN4O4C23H30 AB4C4D23E30 -143.72 9.98 -8.8 -0.41 0
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64607 29203213 1 N3O4C18H21 A3B4C18D21 -151.48 2.7 -9.08 -1.11 0
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64608 29203220 1 N3O5C17H21 A3B5C17D21 -143.86 4.47 -8.79 -0.71 0
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64609 29203222 1 N3O5C17H21 A3B5C17D21 -145.07 6.8 -8.94 -0.46 0
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64610 29203223 1 N3O5C17H21 A3B5C17D21 -140.65 2.48 -9.28 -0.63 0
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64611 29203266 1 SO2N3C22H25 AB2C3D22E25 -53.59 7.21 -8.66 -0.73 0
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64612 29203288 1 SN4O5C19H24 AB4C5D19E24 -212.19 6.77 -9.0 -0.72 0
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64613 29203290 1 SN4O5C19H24 AB4C5D19E24 -207.17 8.04 -8.86 -1.05 0
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64614 29203292 1 FSN3O4C20H22 ABC3D4E20F22 -176.51 6.66 -8.78 -0.82 0
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64615 29203300 1 NO5C23H27 AB5C23D27 -163.8 7.07 -8.59 -0.94 0
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64616 29203303 1 NO5C24H29 AB5C24D29 -159.59 5.76 -8.59 -0.69 0
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64617 29203307 1 N2O3C19H22 A2B3C19D22 -95.6 5.63 -8.52 -0.17 1
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64618 29203310 1 BrO2N3C21H23 AB2C3D21E23 25.42 17.48 0.0 0.0 0
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64619 29203316 1 ClSN2O5H23C24 ABC2D5E23F24 -144.86 1.75 -8.62 -0.93 0
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64620 29203329 1 ClSN4O4H19C21 ABC4D4E19F21 -100.2 6.69 -9.04 -0.94 0
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64621 29203351 1 ClS2N3O5H18C20 AB2C3D5E18F20 -124.6 9.35 -8.99 -1.4 0
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64622 29203373 1 BrFSN2O4H16C20 ABCD2E4F16G20 -137.98 4.27 -9.46 -1.34 0
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64623 29203383 1 ClSN3O5H18C19 ABC3D5E18F19 -175.9 11.98 -8.81 -0.77 0
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64624 29203405 1 ClFON3C15H17 ABCD3E15F17 -53.0 3.86 -8.87 -0.46 0
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64625 29203424 1 FSN3O4H12C15 ABC3D4E12F15 -82.42 6.94 -8.9 -1.51 0
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64626 29203481 1 ClSN2O2C21H21 ABC2D2E21F21 -31.79 2.78 -9.02 -0.76 0
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64627 29203493 1 N3O6H23C25 A3B6C23D25 -111.35 4.24 -9.14 -1.8 0
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64628 29203528 1 OSN2C19H24 ABC2D19E24 -21.77 4.35 -8.64 -0.37 0
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64629 29203542 1 NOSCl2H13C15 ABCD2E13F15 -14.85 4.88 -8.89 -0.7 0
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64630 29203551 1 NCl3O3H8C16 AB3C3D8E16 -66.87 4.04 -9.43 -1.71 0
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64631 29203552 1 OCl2N3H13C17 AB2C3D13E17 29.9 4.28 -9.1 -1.09 0
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64632 29203577 1 N2O3C20H20 A2B3C20D20 -39.61 5.5 -8.79 -0.55 0
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64633 29203588 1 SCl2N3O4C17H19 AB2C3D4E17F19 -175.31 3.74 -9.26 -1.01 0
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64634 29203627 1 N2O6C23H28 A2B6C23D28 -201.05 9.72 -8.51 -0.83 0
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64635 29203628 1 SN2O7C20H22 AB2C7D20E22 -214.7 11.74 -9.14 -0.82 0
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64636 29203630 1 FSN4O4C22H23 ABC4D4E22F23 -123.68 9.3 -9.2 -1.02 0
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64637 29203693 1 F2N2S2O4H16C19 A2B2C2D4E16F19 -164.85 3.21 -9.4 -1.23 0
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64638 29203709 1 SN2O4C18H20 AB2C4D18E20 -95.19 8.16 -9.23 -0.68 0
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64639 29203717 1 S2N3O4C23H23 A2B3C4D23E23 -72.66 8.66 -9.14 -0.89 0
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64640 29203718 1 S2N4O5C19H26 A2B4C5D19E26 -175.5 7.06 -9.12 -0.86 0
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64641 29203719 1 FN2S2O4H15C20 AB2C2D4E15F20 -102.13 2.9 -9.32 -1.38 0
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64642 29203720 1 N2S2O5H20C21 A2B2C5D20E21 -114.65 9.64 -9.38 -1.52 0
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64643 29203742 1 NO5H21C23 AB5C21D23 -162.3 6.9 -8.64 -1.31 0
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64644 29203746 1 NO5H21C26 AB5C21D26 -131.42 8.14 -8.62 -1.52 0
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64645 29203749 1 NO6C21H23 AB6C21D23 -221.75 3.43 -8.56 -0.35 0
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64646 29203760 1 SN3O6C22H23 AB3C6D22E23 -151.69 8.76 -9.42 -0.8 0
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64647 29203761 1 FO2S2N3C21H22 AB2C2D3E21F22 -99.78 4.57 -8.84 -1.25 0
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64648 29203763 1 FO2S2N3C21H22 AB2C2D3E21F22 -96.69 3.88 -8.74 -1.18 0
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64649 29203765 1 SCl2N2O5H16C19 AB2C2D5E16F19 -126.21 8.24 -9.25 -1.06 0
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64650 29203767 1 SN2O4H20C24 AB2C4D20E24 -94.33 2.25 -9.13 -1.06 0