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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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285525 104110019 1 NCl3C12H16 AB3C12D16 -31.62 1.21 -9.23 -0.51 0
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285526 104110020 1 ClNC10H20 ABC10D20 -39.99 3.88 -9.15 1.12 0
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285527 104110021 1 ClN3C13H24 AB3C13D24 -17.91 3.43 -9.27 0.58 0
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285528 104110036 1 ClON2C13H27 ABC2D13E27 -89.97 4.64 -8.72 0.95 0
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285529 104110099 1 BrON3C11H18 ABC3D11E18 -37.93 2.73 -9.14 -0.1 0
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285530 104110171 1 BrN3C13H16 AB3C13D16 43.06 4.44 -8.86 -0.96 0
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285531 104110212 1 ClON3C12H20 ABC3D12E20 -62.79 2.72 -9.22 0.04 0
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285532 104110358 1 ClNOC17H20 ABCD17E20 -47.76 5.47 -8.89 -0.53 0
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285533 104110387 1 ClNOSC10H14 ABCDE10F14 -48.86 4.93 -9.58 -0.97 0
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285534 104110388 1 BrClFNOC12H14 ABCDEF12G14 -101.75 5.11 -9.86 -1.05 0
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285535 104110492 1 ClNOC15H22 ABCD15E22 -77.18 4.94 -9.72 -0.33 0
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285536 104110493 1 ClNOC14H20 ABCD14E20 -77.62 4.44 -9.32 -0.18 0
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285537 104110561 1 ClNOSC14H20 ABCDE14F20 -70.71 5.69 -9.26 -0.72 0
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285538 104110566 1 ClNOC15H22 ABCD15E22 -85.09 5.57 -9.23 0.11 0
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285539 104110570 1 ClNO2C14H16 ABC2D14E16 -69.72 3.8 -9.45 -0.77 0
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285540 104110608 1 ClNOC10H20 ABCD10E20 -108.74 4.05 -10.0 0.94 0
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285541 104110853 1 BrNOC10H18 ABCD10E18 -70.46 3.85 -9.95 -0.2 0
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285542 104110929 1 BrNOC16H30 ABCD16E30 -115.94 3.64 -9.94 0.06 0
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285543 104110975 1 BrNOC13H24 ABCD13E24 -100.44 4.04 -9.88 0.09 0
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285544 104111218 1 ClNSO2F3C12H15 ABCD2E3F12G15 -251.12 4.77 -10.42 -1.32 0
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285545 104111291 1 ON3C11H17 AB3C11D17 -30.04 5.0 -9.47 -0.65 0
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285546 104111327 1 ON2C14H22 AB2C14D22 -60.26 2.82 -9.33 0.02 0
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285547 104111495 1 ON2C14H22 AB2C14D22 -63.08 2.34 -9.4 0.07 0
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285548 104111511 1 N2O2C11H22 A2B2C11D22 -127.34 1.71 -9.42 1.16 0
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285549 104111539 1 ON3C8H19 AB3C8D19 -68.91 3.49 -9.32 1.18 0