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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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169521 75116989 2 N2O2C11H14 A2B2C11D14 -68.79 11.62 -8.12 -1.56 0
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169522 75116990 1 ON2C18H22 AB2C18D22 -15.86 2.77 -9.15 -0.71 0
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169523 75116991 1 ON2C19H22 AB2C19D22 5.24 2.84 -9.16 -0.74 0
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169524 75117209 1 ClOSN3H16C18 ABCD3E16F18 46.86 6.82 -8.16 -1.12 0
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169525 75117243 1 S2N4O4C23H30 A2B4C4D23E30 -88.59 4.46 -8.77 -1.25 0
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169526 75117365 1 O5N7C27H43 A5B7C27D43 -216.25 1.12 -8.95 0.05 0
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169527 75117554 1 BrN2O4C19H23 AB2C4D19E23 -143.39 3.25 -9.23 -0.96 1
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169528 75117624 1 N3O3C17H20 A3B3C17D20 -56.11 4.04 0.0 0.0 0
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169529 75117625 1 ClO4N5C19H20 AB4C5D19E20 -93.89 3.79 -8.8 -0.37 0
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169530 75117626 1 ClSO4N5C20H20 ABC4D5E20F20 -79.99 7.96 -9.73 -0.97 0
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169531 75117633 1 N2O3H18C20 A2B3C18D20 -15.42 6.23 -9.04 -2.14 0
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169532 75117722 1 SN4O5C17H30 AB4C5D17E30 -248.7 4.45 -9.31 0.14 0
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169533 75117723 1 S2N3O3C17H17 A2B3C3D17E17 -55.23 7.43 -8.51 -1.66 0
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169534 75117724 1 SN3O5C15H27 AB3C5D15E27 -241.5 3.65 -9.46 0.11 0
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169535 75117725 1 SN3O6C23H25 AB3C6D23E25 -137.33 6.76 -8.66 -1.71 0
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169536 75117937 1 SCl2N3O4C16H21 AB2C3D4E16F21 -189.76 2.78 -9.55 -0.51 0
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169537 75117938 1 F3N4O4H19C21 A3B4C4D19E21 -197.61 8.24 -8.7 -0.95 0
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169538 75117939 1 N3O5H19C20 A3B5C19D20 -127.81 5.71 -8.44 -1.63 0
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169539 75117940 1 FN4O5H21C22 AB4C5D21E22 -163.27 12.07 -9.3 -0.94 0
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169540 75117941 1 S2N3O4C21H23 A2B3C4D21E23 -87.53 2.11 -8.94 -1.5 0
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169541 75118226 1 SO2N5C25H29 AB2C5D25E29 5.16 5.44 -8.79 -0.95 0
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169542 75118227 1 O2N5C23H23 A2B5C23D23 58.09 4.01 -8.56 -0.64 0
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169543 75118473 1 N4O6C27H28 A4B6C27D28 -142.47 4.32 -9.05 -0.63 1
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169544 75118501 1 N4O4C18H21 A4B4C18D21 -60.55 7.03 0.0 0.0 0
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169545 75118502 1 ClFN4O4C21H28 ABC4D4E21F28 -196.41 5.33 -9.44 -0.69 0
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169546 75118503 1 F2N4O4C21H28 A2B4C4D21E28 -236.59 4.91 -9.51 -0.47 1
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169547 75118618 1 SO3N4H19C20 AB3C4D19E20 2.57 4.42 0.0 0.0 0
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169548 75118619 1 BrO3N4C19H21 AB3C4D19E21 -51.17 5.45 -9.84 -1.15 0
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169549 75119112 1 N5O5C30H31 A5B5C30D31 -68.9 8.59 -8.24 -1.1 0
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169550 75119113 1 N5O5H27C29 A5B5C27D29 -59.16 9.39 -8.33 -1.17 0
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169551 75119114 1 N5O6C31H33 A5B6C31D33 -104.19 8.23 -8.26 -1.13 0
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169552 75119849 1 ClSO3N6C25H27 ABC3D6E25F27 -50.83 1.99 -9.13 -0.66 0
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169553 75119989 1 FO4N6C25H27 AB4C6D25E27 -118.8 7.87 -9.03 -0.51 0
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169554 75119990 1 ClO4N6C25H27 AB4C6D25E27 -83.78 2.51 -8.97 -0.51 0
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169555 75119991 1 O4N6C27H32 A4B6C27D32 -91.88 8.07 -8.66 -0.45 0
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169556 75120114 1 S2N5O5C19H19 A2B5C5D19E19 -109.82 4.36 -8.76 -1.71 0
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169557 75120115 1 SO4N5C22H23 AB4C5D22E23 -59.67 5.89 -7.97 -1.76 0
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169558 75120143 1 S2N5O5C19H19 A2B5C5D19E19 -103.66 10.39 -8.86 -1.3 0
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169559 75120260 1 N4O4C19H20 A4B4C19D20 7.78 7.18 -9.76 -1.64 1
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169560 75120261 1 O4N7C19H24 A4B7C19D24 -59.73 7.01 0.0 0.0 0
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169561 75120286 1 N4O4C19H22 A4B4C19D22 -69.16 12.12 -8.74 -1.31 0
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169562 75120392 1 O2N7C17H25 A2B7C17D25 -31.07 7.41 -8.98 -0.08 0
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169563 75120620 1 SN3O3C15H23 AB3C3D15E23 -85.11 3.83 -8.77 -0.03 0
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169564 75120655 1 NSO4C22H27 ABC4D22E27 -106.27 2.95 -8.78 -0.27 0
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169565 75120656 1 ON3C21H25 AB3C21D25 22.03 4.88 -7.99 -0.65 0
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169566 75120657 1 N3O3C22H25 A3B3C22D25 -42.21 4.79 -8.04 -0.85 0
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169567 75120783 1 N3O3C17H23 A3B3C17D23 -97.1 4.28 -8.96 0.31 0
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169568 75120861 1 SO3N5C28H31 AB3C5D28E31 33.77 8.65 -8.21 -0.95 0
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169569 75120862 1 ClSO2N5C27H30 ABC2D5E27F30 40.87 10.73 -7.25 -1.35 0
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169570 75120863 1 ClSO2N5C27H30 ABC2D5E27F30 22.52 4.82 -8.51 -0.94 0