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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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40003 8143394 1 SN4C19H27 AB4C19D27 90.84 5.74 0.0 0.0 0
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40004 8143395 1 SN4C19H26 AB4C19D26 71.49 3.69 -8.19 -0.31 1
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40005 8143396 1 SN4C19H27 AB4C19D27 91.52 5.37 0.0 0.0 1
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40006 8143398 1 FSN4C17H24 ABC4D17E24 24.49 5.57 0.0 0.0 0
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40007 8143399 1 FSN4C17H23 ABC4D17E23 7.12 5.02 -8.17 -0.76 2
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40008 8143400 1 ClSO2N4C20H21 ABC2D4E20F21 108.31 14.58 -5.37 -1.09 1
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40009 8143406 1 SO2N4C19H29 AB2C4D19E29 -2.23 3.88 0.0 0.0 1
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40010 8143408 1 SN5C22H28 AB5C22D28 107.15 5.15 0.0 0.0 0
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40011 8143411 1 SN5C22H27 AB5C22D27 89.96 2.03 -8.36 -0.78 1
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40012 8143417 1 ClOSN4C17H24 ABCD4E17F24 26.46 18.03 0.0 0.0 1
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40013 8143419 1 ClOSN4C17H24 ABCD4E17F24 25.13 15.95 0.0 0.0 1
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40014 8143421 1 BrSN4C16H22 ABC4D16E22 64.25 12.99 0.0 0.0 0
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40015 8143424 1 BrSN4C16H21 ABC4D16E21 67.15 8.47 -8.16 -1.29 0
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40016 8143426 1 SN4C16H22 AB4C16D22 69.3 8.5 -8.27 -1.24 1
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40017 8143427 1 SN4C16H23 AB4C16D23 72.7 13.13 0.0 0.0 0
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40018 8143428 1 SN4C16H22 AB4C16D22 71.0 8.32 -8.21 -1.16 1
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40019 8143429 1 O3N4C23H25 A3B4C23D25 -25.47 9.03 0.0 0.0 0
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40020 8143430 1 O3N4C23H24 A3B4C23D24 -44.82 10.32 -8.74 -0.69 1
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40021 8143431 1 ON4C15H21 AB4C15D21 22.55 12.77 0.0 0.0 1
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40022 8143435 1 OSN4C18H27 ABC4D18E27 31.04 5.51 0.0 0.0 0
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40023 8143436 1 OSN4C18H26 ABC4D18E26 14.42 5.86 -7.97 -0.49 1
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40024 8143437 1 OSN4C18H27 ABC4D18E27 32.76 4.94 0.0 0.0 0
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40025 8143438 1 OSN4C18H26 ABC4D18E26 13.88 5.26 -7.97 -0.51 1
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40026 8143439 1 OSN4C18H27 ABC4D18E27 29.94 5.19 0.0 0.0 0
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40027 8143442 1 OSN4C18H26 ABC4D18E26 8.28 6.78 -8.17 -0.49 0
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40028 8143444 1 OSN4C19H28 ABC4D19E28 4.32 4.53 -8.1 -0.41 1
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40029 8143447 1 SN4C18H27 AB4C18D27 68.69 6.74 0.0 0.0 1
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40030 8143449 1 SN4C18H27 AB4C18D27 62.61 5.07 0.0 0.0 0
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40031 8143450 1 SN4C18H26 AB4C18D26 45.25 4.29 -8.09 -0.44 1
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40032 8143451 3 NOC6H8 ABC6D8 -91.43 11.27 0.0 0.0 1
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40033 8143457 1 ClSN4C17H24 ABC4D17E24 72.76 10.35 0.0 0.0 0
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40034 8143458 1 ClSN4C17H23 ABC4D17E23 45.62 4.39 -8.18 -0.81 0
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40035 8143460 1 SN4C18H26 AB4C18D26 39.85 3.66 -8.16 -0.23 1
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40036 8143461 1 SN4C18H27 AB4C18D27 58.77 4.51 0.0 0.0 1
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40037 8143465 1 SN3O3C18H26 AB3C3D18E26 -52.03 9.64 0.0 0.0 0
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40038 8143468 1 SN3O3C18H25 AB3C3D18E25 -64.86 3.12 -8.68 -0.84 1
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40039 8143471 1 OSN5C22H32 ABC5D22E32 17.97 13.24 0.0 0.0 0
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40040 8143472 1 OSN5C22H31 ABC5D22E31 3.11 2.33 -8.43 -1.05 0
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40041 8143474 1 OSN5C22H31 ABC5D22E31 2.34 2.95 -8.45 -1.06 0
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40042 8143476 1 SN4C18H26 AB4C18D26 41.04 3.53 -8.17 -0.13 0
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40043 8143478 1 NF4O4H5C10 AB4C4D5E10 -295.06 2.36 -10.33 -2.1 0
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40044 8143480 1 SN4C18H26 AB4C18D26 41.49 4.08 -8.14 -0.1 1
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40045 8143481 1 N2O4C18H23 A2B4C18D23 -111.56 14.15 0.0 0.0 0
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40046 8143482 2 NO2C9H11 AB2C9D11 -124.6 6.95 -8.69 -1.19 1
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40047 8143484 1 N2O4C18H23 A2B4C18D23 -116.96 8.75 0.0 0.0 1
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40048 8143486 1 SO2N5C22H24 AB2C5D22E24 53.94 12.34 0.0 0.0 0
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40049 8143487 1 SO2N5C22H23 AB2C5D22E23 30.67 3.93 -8.32 -0.93 1
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40050 8143488 1 ClSN4C13H16 ABC4D13E16 87.02 5.24 0.0 0.0 1
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40051 8143490 1 SN4C15H21 AB4C15D21 78.2 4.03 0.0 0.0 0
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40052 8143493 1 OSN4C14H18 ABC4D14E18 37.72 2.41 -8.3 -0.45 1
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40053 8143494 1 ClSN4C14H18 ABC4D14E18 76.83 4.96 0.0 0.0 0
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40054 8143495 1 ClSN4C14H17 ABC4D14E17 59.12 2.59 -8.4 -0.62 1
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40055 8143496 1 OSN5C20H24 ABC5D20E24 82.93 5.05 0.0 0.0 0
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40056 8143497 1 OSN5C20H23 ABC5D20E23 66.19 0.79 -8.3 -0.84 0
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40057 8143498 1 ClN2O2H11C16 AB2C2D11E16 28.78 4.91 -9.08 -1.36 1
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40058 8143499 1 OSN5C23H26 ABC5D23E26 76.89 12.2 0.0 0.0 0
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40059 8143500 1 OSN5C23H25 ABC5D23E25 58.52 2.61 -8.45 -1.07 1
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40060 8143501 1 N2O2C23H25 A2B2C23D25 -31.19 11.11 0.0 0.0 0
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40061 8143504 1 O2S2N4C13H18 A2B2C4D13E18 -34.41 2.16 -8.41 -0.98 1
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40062 8143507 1 O2N3C11H20 A2B3C11D20 -75.82 2.91 0.0 0.0 0
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40063 8143508 1 O2N3C11H19 A2B3C11D19 -98.43 2.17 -9.25 0.23 1
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40064 8143509 1 FCl2O2N3H15C19 AB2C2D3E15F19 -15.75 13.13 0.0 0.0 1
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40065 8143513 1 O2N3C18H24 A2B3C18D24 -50.77 1.9 0.0 0.0 0
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40066 8143514 1 O2N3C18H23 A2B3C18D23 -73.55 2.76 -9.15 0.01 1
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40067 8143515 1 FCl2O2N3H15C19 AB2C2D3E15F19 -27.82 7.23 0.0 0.0 1
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40068 8143517 1 O2N3C18H24 A2B3C18D24 -51.33 3.9 0.0 0.0 1
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40069 8143520 1 N2O2C13H15 A2B2C13D15 -27.26 8.15 0.0 0.0 1
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40070 8143522 1 SN5C12H16 AB5C12D16 123.6 11.23 0.0 0.0 0
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40071 8143523 1 SN5C12H15 AB5C12D15 107.51 2.29 -8.74 -0.74 0
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40072 8143524 1 ON2C22H22 AB2C22D22 69.75 3.42 -8.75 -0.71 0
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40073 8143526 1 NO3C12H15 AB3C12D15 -90.19 1.49 -8.37 -0.05 0
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40074 8143528 1 N2O2C13H14 A2B2C13D14 -45.82 1.37 -9.08 -1.23 0
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40075 8143529 1 ON2C22H22 AB2C22D22 71.23 3.37 -8.82 -0.61 1
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40076 8143530 1 SO3N4C19H21 AB3C4D19E21 24.34 5.28 0.0 0.0 0
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40077 8143531 1 SO3N4C19H20 AB3C4D19E20 29.82 3.0 -8.72 -1.61 1