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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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134512 51708656 1 N2O5C25H36 A2B5C25D36 -235.26 5.21 -9.6 -0.89 0
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134513 51708657 1 N2O5C25H36 A2B5C25D36 -230.97 9.91 -9.51 -0.72 0
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134514 51709354 1 N3O3C26H35 A3B3C26D35 -107.0 3.73 -8.67 -0.14 0
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134515 51709454 1 N3O3C22H31 A3B3C22D31 -96.0 2.65 -8.87 -0.34 1
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134516 51709939 1 ClN2O3C21H28 AB2C3D21E28 -73.94 2.4 0.0 0.0 0
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134517 51709940 1 ClN2O3C21H27 AB2C3D21E27 -89.39 4.56 -8.39 -0.07 0
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134518 51710072 1 O2N3C18H29 A2B3C18D29 -105.52 2.97 -8.35 0.44 0
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134519 51710252 1 ClNSO3C11H14 ABCD3E11F14 -106.36 4.42 -9.53 -1.03 0
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134520 51710349 1 NO4C14H19 AB4C14D19 -147.7 5.82 -8.96 -0.19 1
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134521 51710431 1 ClSN2O3C14H22 ABC2D3E14F22 -101.14 5.87 0.0 0.0 2
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134522 51710786 1 N3O4C28H29 A3B4C28D29 -30.68 14.76 -7.47 -0.4 2
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134523 51710787 1 FN3O4C28H28 AB3C4D28E28 -102.46 2.77 -8.58 -0.82 2
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134524 51710788 1 FN3O4C28H28 AB3C4D28E28 -104.67 8.31 -8.61 -0.46 0
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134525 51710828 1 N4O5H24C27 A4B5C24D27 -27.77 11.96 -8.59 -1.26 0
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134526 51711170 1 SN2O2C13H22 AB2C2D13E22 -71.88 4.25 -8.93 0.29 0
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134527 51711577 2 NO2C12H15 AB2C12D15 -151.68 5.62 -9.68 -1.38 0
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134528 51711578 1 N2O5C24H30 A2B5C24D30 -194.27 1.6 -9.86 -1.41 0
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134529 51711579 1 N2O5C24H30 A2B5C24D30 -193.35 3.25 -10.07 -1.39 0
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134530 51711614 1 FO2N3H20C21 AB2C3D20E21 -43.32 3.34 -8.92 -0.23 1
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134531 51711670 1 FO3N4C24H28 AB3C4D24E28 -69.59 3.38 0.0 0.0 2
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134532 51711782 1 ON3C17H33 AB3C17D33 -31.39 20.72 -6.24 -0.89 0
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134533 51711783 1 ON3C17H31 AB3C17D31 -71.85 5.38 -8.77 1.09 2
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134534 51711784 1 ON3C17H33 AB3C17D33 -51.89 10.62 -6.79 0.32 0
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134535 51711799 1 ON2C24H36 AB2C24D36 -59.28 6.43 -8.92 0.06 1
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134536 51711800 1 ON2C24H37 AB2C24D37 -42.55 4.64 0.0 0.0 0
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134537 51711801 1 ON2C24H36 AB2C24D36 -62.3 3.71 -9.05 0.22 0
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134538 51711802 1 O3N4C9H14 A3B4C9D14 -72.35 7.75 -9.09 -0.96 -1
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134539 51711960 1 NO3C9H10 AB3C9D10 -42.61 25.82 0.0 0.0 1
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134540 51712121 1 NC9H20 AB9C20 -5.62 1.45 0.0 0.0 0
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134541 51712122 1 NC9H19 AB9C19 -33.29 1.55 -8.75 3.21 0
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134542 51712404 1 ClN2O4C21H21 AB2C4D21E21 -105.36 7.18 -9.12 -0.36 0
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134543 51712405 1 ClN2O4C21H21 AB2C4D21E21 -102.76 5.94 -8.96 -0.62 0
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134544 51712406 1 FNCl2O4H16C18 ABC2D4E16F18 -187.48 1.91 -9.0 -0.76 0
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134545 51712407 1 FNCl2O4H16C18 ABC2D4E16F18 -189.0 2.29 -9.14 -0.79 0
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134546 51712408 1 ClSN2O6C20H23 ABC2D6E20F23 -210.35 5.92 -9.21 -0.73 0
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134547 51712441 1 Cl2N2O5H20C22 A2B2C5D20E22 -134.01 4.77 -9.09 -0.87 0
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134548 51712552 1 SO2N4C26H34 AB2C4D26E34 -22.7 5.82 -8.68 -0.4 0
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134549 51713005 1 SO2N6C24H30 AB2C6D24E30 12.12 3.26 -7.82 -1.05 0
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134550 51713818 1 ClNSO5H16C21 ABCD5E16F21 -116.26 4.37 -9.83 -1.32 -1
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134551 51713905 1 SO2N4C14H15 AB2C4D14E15 15.31 2.28 0.0 0.0 0
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134552 51713943 1 ClON3H20C24 ABC3D20E24 65.01 3.23 -8.78 -1.01 0
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134553 51714100 1 SN2O4C23H24 AB2C4D23E24 -96.76 7.84 -8.48 -0.63 0
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134554 51714168 1 ClSO3N4H21C22 ABC3D4E21F22 -68.89 4.54 -9.14 -0.78 0
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134555 51714169 1 ClSO3N4H21C22 ABC3D4E21F22 -68.18 6.32 -8.94 -0.73 1
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134556 51714242 1 NO4C21H28 AB4C21D28 -128.75 0.83 0.0 0.0 0
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134557 51714426 1 N3O5H23C25 A3B5C23D25 -54.68 3.84 -8.75 -1.15 0
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134558 51714481 1 SN3O4C21H25 AB3C4D21E25 -97.33 7.28 -9.32 -0.68 0
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134559 51714538 1 SCl2N3O3H19C20 AB2C3D3E19F20 -74.19 3.37 -8.26 -0.84 0
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134560 51714539 1 SCl2N3O3H19C20 AB2C3D3E19F20 -70.33 6.3 -8.82 -0.76 0
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134561 51714540 1 SF2N3O3H19C20 AB2C3D3E19F20 -151.41 3.6 -8.47 -0.81 0
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134562 51714541 1 SF2N3O3H19C20 AB2C3D3E19F20 -151.75 2.7 -8.54 -0.83 0
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134563 51714542 1 SN3O3C24H29 AB3C3D24E29 -79.21 6.45 -8.72 -0.67 0
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134564 51714543 1 SN3O3C24H29 AB3C3D24E29 -84.44 4.25 -8.59 -0.73 0
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134565 51714544 1 ON4C16H20 AB4C16D20 28.48 2.47 -8.53 -0.33 0
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134566 51714545 1 ON3C19H25 AB3C19D25 -12.63 5.67 -9.28 -0.63 0
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134567 51714546 1 O2N3C16H17 A2B3C16D17 -2.54 6.84 -9.07 -0.54 0
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134568 51714547 1 N3O3C16H17 A3B3C16D17 16.68 10.15 -8.88 -1.16 -1
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134569 51714548 1 ClSN4O5H14C18 ABC4D5E14F18 -0.61 5.44 0.0 0.0 0
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134570 51714549 1 ClSN4O5H15C18 ABC4D5E15F18 -31.02 9.74 -8.98 -1.8 -1
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134571 51714550 1 ClSF2N4O4H12C19 ABC2D4E4F12G19 -51.22 5.73 0.0 0.0 0
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134572 51714551 1 SN4O5C20H26 AB4C5D20E26 -75.03 7.84 -9.09 -1.17 0
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134573 51714552 1 N3O6C25H25 A3B6C25D25 -136.75 5.02 -9.06 -1.15 0
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134574 51715174 1 SF3N4H13C14 AB3C4D13E14 -68.1 7.53 -8.72 -0.94 0
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134575 51715246 1 N3O4H19C20 A3B4C19D20 -18.5 4.91 -8.84 -0.93 1
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134576 51715627 1 BrSN3O3C15H19 ABC3D3E15F19 -47.55 4.19 0.0 0.0 0
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134577 51715735 1 SN7H19C24 AB7C19D24 214.65 5.29 -8.55 -0.93 0
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134578 51715760 1 ClO3N7H12C16 AB3C7D12E16 114.15 6.02 -9.94 -1.9 0
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134579 51715811 1 N2O3C15H22 A2B3C15D22 -115.56 3.24 -8.85 0.25 -1
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134580 51716034 1 SCl2N3O5H16C17 AB2C3D5E16F17 -134.04 3.84 0.0 0.0 0
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134581 51716228 1 N2O5C23H30 A2B5C23D30 -160.07 3.29 -8.66 -0.23 1
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134582 51716327 1 N2O3C24H33 A2B3C24D33 -65.63 5.59 0.0 0.0 0
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134583 51717043 1 N3O4C24H27 A3B4C24D27 -104.22 8.07 -9.01 -0.85 -1
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134584 51717245 1 N4O6C23H29 A4B6C23D29 -194.37 11.65 0.0 0.0 0
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134585 51717640 1 FO2N3H16C21 AB2C3D16E21 20.62 4.7 -8.63 -0.97 -1
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134586 51717866 1 FN3O6C25H25 AB3C6D25E25 -200.79 9.38 0.0 0.0 0
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134587 51717867 1 FN3O6C25H26 AB3C6D25E26 -219.69 4.27 -8.76 -0.9 0
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134588 51718005 1 N3O5C23H25 A3B5C23D25 -137.26 8.4 -8.41 -0.9 0
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134589 51718013 1 SN3O3C14H15 AB3C3D14E15 -46.22 6.73 -9.43 -0.79 1
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134590 51718795 1 ClN3O3C16H19 AB3C3D16E19 -90.65 8.0 0.0 0.0 1
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134591 51718796 1 BrO2N3C9H15 AB2C3D9E15 -59.07 9.11 0.0 0.0 0
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134592 51718797 1 SN4O5C21H24 AB4C5D21E24 -147.07 6.63 -9.43 -0.9 0
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134593 51719803 2 NO3C9H10 AB3C9D10 -226.54 9.7 -9.1 -0.81 0
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134594 51719902 1 ClO2N3H16C19 AB2C3D16E19 -7.38 6.85 -8.83 -0.78 0
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134595 51719941 2 O2N3C11H14 A2B3C11D14 -48.85 12.5 -8.65 -0.73 0
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134596 51720143 1 N2O3H20C22 A2B3C20D22 -76.17 4.92 -8.76 0.03 -1
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134597 51721004 1 Cl2N3O4H22C23 A2B3C4D22E23 -94.33 10.95 0.0 0.0 -1
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134598 51721476 1 S2N4O5H11C14 A2B4C5D11E14 -82.38 3.51 0.0 0.0 0
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134599 51721530 1 N4O6C23H30 A4B6C23D30 -223.64 8.58 -8.91 -0.71 -1
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134600 51721734 1 N4O5C22H25 A4B5C22D25 -64.97 33.69 0.0 0.0 0
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134601 51722008 1 ClFON4H12C17 ABCD4E12F17 0.8 3.27 -9.12 -1.27 0
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134602 51723249 1 NO5C15H17 AB5C15D17 -160.06 5.3 -8.86 -0.68 -1
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134603 51723250 1 N2O2S2C10H11 A2B2C2D10E11 5.58 17.78 0.0 0.0 0
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134604 51723824 2 NO2C11H16 AB2C11D16 -124.85 4.56 -8.31 0.2 0
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134605 51723996 1 ON2C21H28 AB2C21D28 -50.17 5.4 -8.27 0.04 0
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134606 51724912 2 ON2C12H14 AB2C12D14 -34.08 7.82 -8.61 -1.49 0
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134607 51724948 1 FSN3O3C22H22 ABC3D3E22F22 -108.67 6.69 -9.44 -0.71 1
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134608 51725132 1 N3O4C16H20 A3B4C16D20 -84.42 3.47 0.0 0.0 0
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134609 51725133 1 SN2O3H22C23 AB2C3D22E23 -60.88 1.68 -9.18 -0.32 0
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134610 51725275 1 ON4C21H22 AB4C21D22 49.96 4.85 -8.74 -0.62 0
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134611 51725581 1 O2N3C15H23 A2B3C15D23 -68.58 5.16 -9.28 -0.49 1