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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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173587 75658132 1 O2N3C22H30 A2B3C22D30 -14.84 4.61 0.0 0.0 1
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173588 75658217 1 SO3N5C26H34 AB3C5D26E34 -24.49 9.4 0.0 0.0 1
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173589 75658218 1 OSN5C25H38 ABC5D25E38 10.16 8.23 0.0 0.0 1
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173590 75658219 1 OSN6C23H31 ABC6D23E31 76.94 7.0 0.0 0.0 1
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173591 75658220 1 FOSN5C24H35 ABCD5E24F35 -34.33 7.43 0.0 0.0 1
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173592 75658221 1 FOSN5C23H33 ABCD5E23F33 -29.5 4.83 0.0 0.0 1
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173593 75659138 1 OSN3C21H30 ABC3D21E30 -36.11 6.43 0.0 0.0 1
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173594 75659142 1 FOSN3C20H27 ABCD3E20F27 -42.76 20.71 0.0 0.0 1
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173595 75659355 1 N2O2C20H31 A2B2C20D31 -71.89 3.42 0.0 0.0 1
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173596 75659356 1 N2O2C21H33 A2B2C21D33 -80.83 2.37 0.0 0.0 1
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173597 75659357 1 N2O2C22H33 A2B2C22D33 -76.12 2.7 0.0 0.0 1
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173598 75659358 1 N2O2C23H35 A2B2C23D35 -81.17 4.45 0.0 0.0 1
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173599 75659410 1 NO3C24H34 AB3C24D34 -95.35 2.15 0.0 0.0 1
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173600 75659533 1 FNO3C25H33 ABC3D25E33 -144.51 3.22 0.0 0.0 1
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173601 75659659 1 FON4C20H26 ABC4D20E26 -21.9 0.9 0.0 0.0 1
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173602 75660161 1 ON2C23H35 AB2C23D35 -34.31 3.94 0.0 0.0 1
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173603 75660162 1 ClON2C22H32 ABC2D22E32 -34.89 6.19 0.0 0.0 0
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173604 75660429 1 SN3O3C10H19 AB3C3D10E19 -147.49 6.47 -9.43 -0.43 -1
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173605 75660430 1 N3O4C8H8 A3B4C8D8 -10.0 12.08 0.0 0.0 1
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173606 75660825 1 N2O6C15H25 A2B6C15D25 -201.01 3.42 0.0 0.0 0
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173607 75661082 1 FSN3O4C27H30 ABC3D4E27F30 -106.79 6.58 -8.54 -1.0 -2
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173608 75662104 1 N2O5H6C10 A2B5C6D10 -72.81 5.25 -10.38 -1.7 -1
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173609 75662105 1 N2O2C7H7 A2B2C7D7 11.99 1.33 0.0 0.0 -1
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173610 75662106 1 N2O2C8H9 A2B2C8D9 1.46 1.52 0.0 0.0 1
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173611 75662401 1 ON5C22H32 AB5C22D32 -17.43 4.17 0.0 0.0 -1
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173612 75662947 1 SO3N4H21C22 AB3C4D21E22 1.09 3.23 0.0 0.0 1
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173613 75662948 1 FN2O2C20H20 AB2C2D20E20 -41.08 7.6 0.0 0.0 1
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173614 75663200 1 OS2N5C21H32 AB2C5D21E32 27.74 4.09 0.0 0.0 1
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173615 75663201 1 OSN5C26H46 ABC5D26E46 -37.76 10.94 0.0 0.0 0
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173616 75663202 1 OSN5C26H45 ABC5D26E45 -51.77 4.7 -8.54 -0.18 1
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173617 75663382 1 ON4C13H21 AB4C13D21 5.06 5.18 0.0 0.0 0
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173618 75663383 1 ON4C13H20 AB4C13D20 -22.05 5.14 -7.89 0.23 1
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173619 75663384 1 N2O2C11H15 A2B2C11D15 -32.21 4.61 0.0 0.0 -1
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173620 75663857 1 O2N3H18C19 A2B3C18D19 15.99 4.74 0.0 0.0 1
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173621 75663858 1 ON5C18H22 AB5C18D22 77.8 4.38 0.0 0.0 0
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173622 75663859 1 ON5C18H21 AB5C18D21 80.5 0.93 -8.41 0.1 -1
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173623 75664069 1 SCl2N2O3H13C19 AB2C2D3E13F19 -13.68 2.54 0.0 0.0 -2
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173624 75664070 1 S2O6N7H15C19 A2B6C7D15E19 95.0 39.8 -7.51 -5.61 -1
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173625 75664071 1 ClSN3O4H13C19 ABC3D4E13F19 18.25 4.82 0.0 0.0 -1
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173626 75664072 1 ClSN2O6H14C20 ABC2D6E14F20 -42.27 7.38 0.0 0.0 1
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173627 75664073 1 F2N2O3C27H31 A2B2C3D27E31 -116.75 3.04 0.0 0.0 1
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173628 75664074 1 O4N7C25H34 A4B7C25D34 -95.89 1.95 0.0 0.0 0
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173629 75664075 1 O4N7C25H33 A4B7C25D33 -95.61 7.29 -8.66 0.02 1
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173630 75664076 1 N4O7C19H25 A4B7C19D25 -285.49 7.17 0.0 0.0 0
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173631 75664077 1 SO2N3C22H27 AB2C3D22E27 -27.39 7.7 -8.19 -0.74 -1
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173632 75664078 1 SN4O4H17C21 AB4C4D17E21 50.5 7.35 0.0 0.0 -1
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173633 75664079 1 BrSN2O3H16C21 ABC2D3E16F21 16.92 5.88 0.0 0.0 -1
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173634 75664080 1 SO3N4C15H17 AB3C4D15E17 -2.48 4.24 0.0 0.0 0
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173635 75664081 1 OSN4C14H14 ABC4D14E14 95.37 7.91 -8.88 -0.3 -1
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173636 75664082 1 ClSO3N4H14C17 ABC3D4E14F17 4.09 7.93 0.0 0.0 -1