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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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186552 77444351 1 O3N4C36H48 A3B4C36D48 -109.63 11.66 -8.2 -0.57 0
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186553 77444425 1 FCl2O2N7C28H34 AB2C2D7E28F34 -67.56 7.84 -8.79 -1.04 0
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186554 77444426 1 ClO2F4N6C27H29 AB2C4D6E27F29 -216.79 4.5 -8.68 -0.99 0
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186555 77445251 1 FO3N7C30H40 AB3C7D30E40 -115.8 2.29 -9.01 -1.1 0
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186556 77445252 1 FO3N6C37H45 AB3C6D37E45 -109.56 6.18 -8.85 -0.99 0
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186557 77445353 1 FO3C20H25 AB3C20D25 -136.08 2.03 -8.97 -0.73 0
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186558 77445354 1 ClFO4C33H36 ABC4D33E36 -178.71 5.18 -8.74 -0.37 0
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186559 77445355 1 NSO2C27H31 ABC2D27E31 -13.12 2.79 -8.6 -0.46 0
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186560 77445356 1 SN3O3C8H13 AB3C3D8E13 -114.86 2.35 -9.24 -0.38 0
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186561 77445357 1 O8C15H22 A8B15C22 -330.93 4.78 -9.22 -0.38 0
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186562 77445393 1 ON5H19C21 AB5C19D21 113.38 7.08 -8.58 -1.52 0
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186563 77445608 1 NPC11H18 ABC11D18 -9.05 0.38 -8.22 0.35 0
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186564 77445638 1 NO9C17H31 AB9C17D31 -390.94 3.86 -9.57 0.04 0
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186565 77445786 2 O2C16H23 A2B16C23 -211.57 3.71 -9.68 -0.15 0
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186566 77445787 1 N3O9C17H27 A3B9C17D27 -389.1 5.06 -9.63 -0.48 0
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186567 77446001 1 OS2N6H18C21 AB2C6D18E21 130.32 3.31 -8.48 -1.53 0
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186568 77446002 1 N3O3C18H25 A3B3C18D25 -134.32 6.85 -9.32 0.23 -1
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186569 77446003 1 BrSN2O2C5H6 ABC2D2E5F6 -19.41 8.6 0.0 0.0 0
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186570 77446221 1 ClNO2C18H22 ABC2D18E22 -79.51 2.17 -7.83 -0.37 0
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186571 77446222 1 ClNOC19H24 ABCD19E24 -51.14 1.73 -8.03 -0.39 0
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186572 77446223 1 ClNOC17H20 ABCD17E20 -36.99 2.53 -8.0 -0.4 0
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186573 77446255 1 ClSO3N4H25C31 ABC3D4E25F31 -15.54 8.72 -8.34 -1.19 0
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186574 77447102 1 S2F3O4N6C30H31 A2B3C4D6E30F31 -180.48 1.59 -9.08 -0.99 0
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186575 77447132 1 SN3O5H21C23 AB3C5D21E23 -84.23 3.21 -8.41 -1.46 0
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186576 77447166 2 SO2N3C12H16 AB2C3D12E16 -121.05 4.07 -9.04 -0.83 0
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186577 77447167 1 SO3N6C27H36 AB3C6D27E36 -60.88 3.27 -9.0 -0.95 0
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186578 77447548 1 FO3N7C29H34 AB3C7D29E34 -94.87 5.3 -8.48 -0.73 0
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186579 77447577 1 FN2C8H17 AB2C8D17 -70.6 2.71 -8.72 2.35 0
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186580 77447689 1 IO5C22H37 AB5C22D37 -255.97 3.85 -9.91 -0.95 0
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186581 77447690 1 ClON3C29H32 ABC3D29E32 17.33 5.36 -8.52 -0.17 0
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186582 77447879 3 ON3C9H11 AB3C9D11 5.05 9.44 -8.72 -1.12 0
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186583 77447880 1 Si2O5N7C39H63 A2B5C7D39E63 -224.24 2.37 -8.02 -0.56 0
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186584 77448075 1 O5N7C32H53 A5B7C32D53 -251.21 6.29 -8.62 -0.1 0
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186585 77448918 1 ON2C25H26 AB2C25D26 39.63 4.53 -8.76 -0.39 0
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186586 77449154 1 OSN3C18H19 ABC3D18E19 160.52 2.08 -8.7 -1.01 0
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186587 77449155 1 O2N8H22C25 A2B8C22D25 122.04 8.48 -8.58 -2.05 0
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186588 77449408 1 FO4N5C40H42 AB4C5D40E42 -87.78 5.83 -8.53 -0.67 0
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186589 77449692 1 N2O6H14C15 A2B6C14D15 -112.48 9.77 -9.13 -1.23 0
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186590 77450346 1 O3C13H16 A3B13C16 -120.97 4.76 -9.05 0.1 0
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186591 77450816 1 PN3O7C26H44 AB3C7D26E44 -382.33 10.38 -9.43 0.15 0
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186592 77450890 1 O2N7C21H29 A2B7C21D29 21.29 3.48 -8.42 -1.28 0
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186593 77450891 1 N6C23H24 A6B23C24 141.02 3.29 -8.56 -0.76 0
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186594 77450892 1 O3N6C24H34 A3B6C24D34 -41.79 6.76 -8.39 -1.34 0
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186595 77451058 1 N7O17C32H59 A7B17C32D59 -769.91 3.58 -9.58 0.21 0
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186596 77451059 1 F3N4O7C30H33 A3B4C7D30E33 -252.34 8.79 -8.82 -1.85 0
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186597 77451060 1 N3O8C31H35 A3B8C31D35 -244.46 10.36 -8.82 -1.49 0
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186598 77451168 1 IN4O12C22H41 AB4C12D22E41 -538.4 5.2 -9.8 -0.97 0
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186599 77451305 1 O5N8C38H52 A5B8C38D52 -165.63 4.45 -8.34 -0.23 0
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186600 77451338 1 FSN5O5H30C31 ABC5D5E30F31 -131.11 3.46 -8.87 -0.89 0
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186601 77451699 1 OCl2N7C22H27 AB2C7D22E27 10.47 4.6 -9.03 -0.94 0