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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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144447 53369518 3 NOC5H7 ABC5D7 -115.23 4.62 -8.88 -0.81 0
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144448 53369541 1 O2N4C21H22 A2B4C21D22 24.11 5.96 -8.93 -0.61 0
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144449 53369542 1 OS2N5C16H17 AB2C5D16E17 59.66 4.58 -9.75 -1.75 0
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144450 53369602 1 O2N5C14H21 A2B5C14D21 14.0 7.21 -8.11 -0.67 0
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144451 53369924 1 O2N3C18H25 A2B3C18D25 -10.03 5.04 -8.3 -0.65 0
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144452 53370100 1 NO2S2H11C13 AB2C2D11E13 -33.9 4.54 -8.9 -0.64 0
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144453 53370205 1 ClN2O3H13C16 AB2C3D13E16 -11.01 3.5 -8.33 -0.8 0
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144454 53370453 1 O3N6C20H24 A3B6C20D24 -76.08 7.71 -8.93 -0.43 0
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144455 53370685 1 N3O4C18H23 A3B4C18D23 -87.13 5.25 -8.69 -0.64 0
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144456 53370914 1 SO2N5C21H21 AB2C5D21E21 18.43 4.17 -8.42 -0.75 0
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144457 53371700 1 FSO2N3C35H40 ABC2D3E35F40 -102.4 3.01 -8.82 -0.65 0
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144458 53372177 1 ClFON4C19H24 ABCD4E19F24 -45.97 3.12 -8.7 -0.44 0
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144459 53372178 1 ClFO2N4C19H24 ABC2D4E19F24 -81.47 2.5 -8.93 -0.45 0
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144460 53372179 1 ClFON3H19C20 ABCD3E19F20 -12.74 1.62 -9.28 -0.44 0
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144461 53372438 1 SO2F4N6H20C27 AB2C4D6E20F27 -127.46 9.9 -9.72 -1.88 0
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144462 53372718 1 ClFN6H12C18 ABC6D12E18 76.24 4.83 -9.29 -1.28 0
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144463 53372834 1 O4N6H26C27 A4B6C26D27 -27.62 2.92 -8.81 -1.17 0
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144464 53372835 1 O2N5H21C24 A2B5C21D24 28.96 3.13 -9.17 -1.21 0
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144465 53372836 1 ClFN5H11C20 ABC5D11E20 106.57 4.18 -9.58 -1.53 0
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144466 53372837 1 ClFN6H16C20 ABC6D16E20 85.6 5.3 -9.11 -1.36 0
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144467 53373550 1 SO4N6C25H30 AB4C6D25E30 -67.31 3.99 -8.95 -0.61 0
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144468 53373911 1 N3C21H25 A3B21C25 50.19 4.98 -7.6 0.58 0
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144469 53374006 1 Cl2N2O3F6H20C25 A2B2C3D6E20F25 -356.1 3.18 -9.93 -0.9 0
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144470 53374458 1 O3N5H29C30 A3B5C29D30 -5.23 5.29 -9.0 -0.62 0
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144471 53374459 1 FO2N4H31C32 AB2C4D31E32 -31.66 3.72 -9.08 -0.52 0
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144472 53374486 1 ClN2O5H17C24 AB2C5D17E24 -109.32 3.95 -9.15 -1.99 0
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144473 53374621 1 NO3H9C10 AB3C9D10 -38.22 1.33 -9.73 -1.4 0
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144474 53375209 1 O2N3H11C14 A2B3C11D14 41.83 6.21 -8.81 -1.23 0
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144475 53375523 1 SN2O2H18C19 AB2C2D18E19 -46.46 1.72 -8.99 -1.19 0
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144476 53375558 1 ClNO2C8H14 ABC2D8E14 -138.54 6.43 -10.1 0.77 0
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144477 53375559 1 NO2C15H17 AB2C15D17 -50.31 3.35 -9.73 -0.13 0
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144478 53375629 1 O3C13H18 A3B13C18 -138.04 2.8 -9.21 0.3 0
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144479 53375665 1 ClON5C19H22 ABC5D19E22 28.86 3.56 -9.05 -0.94 0
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144480 53375896 1 NO6C23H25 AB6C23D25 -155.61 9.01 -8.89 -0.8 0
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144481 53375903 1 OC21H36 AB21C36 -83.48 2.51 -9.22 0.8 0
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144482 53375904 2 SN2O3C16H19 AB2C3D16E19 -203.02 5.93 -8.92 -0.98 0
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144483 53375905 1 S2N4O6C33H40 A2B4C6D33E40 -211.64 6.17 -8.69 -0.8 0
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144484 53375906 2 SN2O3C16H18 AB2C3D16E18 -180.49 7.26 -8.96 -1.02 0
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144485 53375907 2 SN2O3C16H18 AB2C3D16E18 -182.19 5.07 -8.98 -0.92 0
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144486 53376276 1 SO2F3N3H18C22 AB2C3D3E18F22 -142.56 1.56 -8.67 -1.31 0
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144487 53376352 2 SN3O5C21H25 AB3C5D21E25 -319.68 9.14 -8.7 -0.72 0
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144488 53376437 1 NO4C22H25 AB4C22D25 -93.52 9.15 -8.86 -0.64 0
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144489 53376837 1 O4C17H22 A4B17C22 -149.42 1.13 -8.71 0.44 0
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144490 53376868 1 ClN2O4H25C31 AB2C4D25E31 -38.88 4.7 -9.27 -0.85 0
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144491 53376900 1 ON5C24H25 AB5C24D25 53.76 5.41 -8.1 -1.45 0
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144492 53377473 1 NF3O4H12C13 AB3C4D12E13 -281.26 7.24 -9.62 -0.92 0
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144493 53377474 1 FSO2N3H18C20 ABC2D3E18F20 -64.38 4.1 -8.56 -0.81 0
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144494 53377475 1 FNO3H6C10 ABC3D6E10 -108.46 5.07 -10.0 -1.38 0
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144495 53378139 1 ON5C26H27 AB5C26D27 93.17 1.27 -8.83 -0.73 0
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144496 53378140 1 O3N4C20H20 A3B4C20D20 36.25 7.72 -9.22 -1.52 0
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144497 53378230 1 O2F3N6C30H39 A2B3C6D30E39 -208.02 7.65 -8.95 -0.72 0
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144498 53378300 1 FSN2O4C29H31 ABC2D4E29F31 -145.08 2.03 -8.96 -1.1 0
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144499 53378669 1 ClNSO4C21H24 ABCD4E21F24 -145.04 4.64 -8.86 -0.28 0
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144500 53378670 1 FNSO4C21H24 ABCD4E21F24 -181.8 2.24 -8.78 -0.2 0
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144501 53378671 1 BrNSO4C21H24 ABCD4E21F24 -131.93 3.91 -8.76 -0.44 0
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144502 53378672 1 NO24C60H89 AB24C60D89 -1113.4 6.34 -9.02 -0.66 0
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144503 53378673 1 NO24C57H89 AB24C57D89 -1145.39 6.22 -9.2 0.1 0
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144504 53378719 1 SF2N2O4H24C30 AB2C2D4E24F30 -142.18 6.71 -8.88 -1.09 0
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144505 53378720 1 FS2N3O6C27H28 AB2C3D6E27F28 -205.5 4.58 -9.11 -1.17 0
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144506 53378721 1 FSN3O5C30H32 ABC3D5E30F32 -186.61 4.7 -8.86 -1.03 0
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144507 53378890 1 ClSN2O4C22H25 ABC2D4E22F25 -132.64 3.07 -8.7 -0.32 0
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144508 53379553 1 SN3O3H11C13 AB3C3D11E13 -66.75 5.63 -9.14 -0.92 0
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144509 53379796 1 N3O4H21C22 A3B4C21D22 -81.11 7.94 -9.43 -0.64 0
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144510 53379797 1 N3O4H21C22 A3B4C21D22 -83.03 7.56 -9.31 -0.78 0
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144511 53379798 1 SN3O3C23H23 AB3C3D23E23 -38.34 8.02 -9.1 -0.69 0
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144512 53379799 1 FSN3O3H20C22 ABC3D3E20F22 -82.88 8.25 -9.38 -0.82 0
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144513 53379800 1 SN3O3C23H23 AB3C3D23E23 -40.36 5.97 -9.51 -0.88 0
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144514 53379801 1 N4O5C24H24 A4B5C24D24 -123.6 6.3 -9.23 -0.85 0
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144515 53379802 1 O2F3N6C27H27 A2B3C6D27E27 -109.22 7.56 -8.69 -1.26 0
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144516 53380178 1 SN2O3C27H30 AB2C3D27E30 -71.17 2.08 -9.06 -0.09 0
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144517 53380179 1 SN2O3C26H28 AB2C3D26E28 -70.3 3.77 -9.16 -0.38 0
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144518 53380365 2 ON2C14H19 AB2C14D19 -55.38 2.41 -7.88 -0.36 0
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144519 53380366 1 OSN2C24H24 ABC2D24E24 42.37 2.27 -8.11 -0.23 0
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144520 53380367 1 ON3C21H25 AB3C21D25 7.44 1.21 -8.24 -0.46 0
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144521 53380368 1 N3C21H25 A3B21C25 39.16 2.62 -8.1 -0.23 0
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144522 53380382 1 ON5H19C20 AB5C19D20 79.02 6.16 -9.3 -1.39 0
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144523 53381208 1 IO3H15C16 AB3C15D16 -56.09 6.97 -9.15 -1.16 0
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144524 53381901 1 SN2O2C39H42 AB2C2D39E42 27.89 3.31 -8.52 -0.41 0
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144525 53381902 1 SN2O2C30H34 AB2C2D30E34 6.88 5.44 -8.94 -0.35 0
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144526 53382108 1 SO3N4H12C15 AB3C4D12E15 -25.73 8.29 -9.66 -1.88 0
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144527 53382115 2 O3H7C14 A3B7C14 -122.52 2.91 -8.65 -1.77 2
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144528 53382197 4 NOC5H7 ABC5D7 -72.58 6.49 -5.0 -1.82 0
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144529 53382405 1 OH18C19 AB18C19 27.68 1.61 -9.26 0.03 0
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144530 53382791 1 SN3O7C23H35 AB3C7D23E35 -270.79 7.22 -8.78 -0.57 0
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144531 53382792 1 ClSN3O4C22H28 ABC3D4E22F28 -132.83 2.92 -9.04 -0.63 0
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144532 53382796 1 ClSN2O6C18H25 ABC2D6E18F25 -240.72 9.62 -9.55 -0.94 0
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144533 53383088 1 SN3O6C24H31 AB3C6D24E31 -212.62 4.8 -8.54 -0.25 0
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144534 53383089 1 FSN3O4C22H26 ABC3D4E22F26 -179.21 6.2 -9.13 -0.47 0
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144535 53383090 1 SN3O5C20H25 AB3C5D20E25 -163.05 6.41 -8.99 -0.2 0
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144536 53383091 1 S2N3O4C20H25 A2B3C4D20E25 -130.45 3.4 -8.87 -0.21 0
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144537 53383092 1 SN3O6C24H31 AB3C6D24E31 -206.88 4.09 -8.4 -0.05 0
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144538 53383093 1 SN3O5C23H29 AB3C5D23E29 -173.64 5.78 -9.03 -0.15 0
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144539 53383142 1 O2F3N3H24C27 A2B3C3D24E27 -163.01 7.25 -9.27 -1.48 0
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144540 53383143 1 O2N4H24C27 A2B4C24D27 27.66 3.99 -9.21 -1.43 0
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144541 53383167 1 N4O5H20C27 A4B5C20D27 -43.24 3.68 -8.55 -1.6 0
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144542 53383262 1 N3O5C30H33 A3B5C30D33 -130.62 4.18 -8.67 -0.76 0
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144543 53383455 1 O2F3N3H24C30 A2B3C3D24E30 -138.96 9.64 -9.36 -1.2 0
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144544 53383456 1 O2F3N3H22C26 A2B3C3D22E26 -156.99 1.98 -9.17 -1.38 0
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144545 53383457 1 Cl2O2N3H21C25 A2B2C3D21E25 -11.69 4.99 -9.2 -1.21 0
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144546 53383458 1 O2N3H25C26 A2B3C25D26 -6.56 5.61 -8.89 -0.74 0