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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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189466 77861824 1 N5O5H23C24 A5B5C23D24 -115.76 5.99 -8.95 -1.46 0
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189467 77861825 1 N2O3H8C10 A2B3C8D10 -46.76 4.02 -9.38 -2.19 0
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189468 77861826 1 NO5C15H15 AB5C15D15 -164.5 3.59 -9.55 -1.16 0
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189469 77861827 1 INC11H14 ABC11D14 34.44 4.38 -7.97 -0.96 0
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189470 77861828 1 O5N6C31H38 A5B6C31D38 -178.39 6.06 -8.73 -0.54 0
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189471 77861829 1 ClOC12H17 ABC12D17 -53.33 2.89 -8.65 -0.02 0
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189472 77861887 1 ON2C14H20 AB2C14D20 -38.21 6.37 -9.26 -0.06 0
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189473 77862131 1 O6C43H72 A6B43C72 -359.45 3.02 -9.39 -0.46 0
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189474 77862930 1 OSN5C19H23 ABC5D19E23 -2.87 5.22 -8.79 -0.57 0
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189475 77862931 1 FSO2N3C17H18 ABC2D3E17F18 -31.18 8.55 -8.36 -0.28 1
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189476 77863103 1 BrFO2N6C18H21 ABC2D6E18F21 -55.88 3.78 0.0 0.0 0
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189477 77863489 1 OF2N10C22H26 AB2C10D22E26 3.76 3.97 -9.26 -1.08 0
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189478 77863566 1 NO4C21H21 AB4C21D21 -68.81 4.65 -8.88 -0.81 0
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189479 77863922 1 SO4N5C20H27 AB4C5D20E27 -121.61 6.62 -8.63 -0.52 0
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189480 77863940 1 ClSN2O4C20H29 ABC2D4E20F29 -181.7 4.68 -9.48 -0.6 0
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189481 77863941 1 NO5C30H37 AB5C30D37 -174.3 6.68 -9.12 -0.88 0
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189482 77864105 2 ClNO2C15H15 ABC2D15E15 -145.58 3.1 -9.37 -0.63 0
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189483 77864113 1 FCl2O3N4C33H35 AB2C3D4E33F35 -133.09 5.71 -8.65 -0.98 0
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189484 77864550 1 SN5O6C41H61 AB5C6D41E61 -261.3 8.78 -9.01 -0.48 0
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189485 77864551 1 N5O7C32H51 A5B7C32D51 -323.06 8.74 -9.51 -0.67 1
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189486 77864695 1 O2N8C23H27 A2B8C23D27 33.93 7.81 0.0 0.0 0
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189487 77864760 1 NOC18H35 ABC18D35 -88.0 1.25 -8.53 2.36 0
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189488 77865199 1 ClFN2O3H10C13 ABC2D3E10F13 -130.91 3.6 -10.16 -1.81 0
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189489 77865408 1 O2N3C21H25 A2B3C21D25 -34.29 6.9 -8.6 -0.17 0
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189490 77865524 1 OC20H30 AB20C30 -62.87 2.85 -8.55 0.3 0