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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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80497 49834771 1 FN2O2H19C20 AB2C2D19E20 -73.98 6.67 -8.53 -0.82 0
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80498 49834777 1 F2O3N6H20C21 A2B3C6D20E21 -69.91 7.13 -8.51 -1.14 0
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80499 49834779 1 F2O4N5H17C20 A2B4C5D17E20 -106.06 4.84 -9.12 -1.24 0
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80500 49834781 1 N2S2O11C19H22 A2B2C11D19E22 -455.26 8.62 -9.26 -1.24 0
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80501 49834791 1 NOBr2H9C15 ABC2D9E15 32.64 2.76 -9.12 -1.23 0
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80502 49834804 1 SO2F3N3C16H18 AB2C3D3E16F18 -183.03 4.79 -9.21 -0.86 0
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80503 49834806 1 OSF3N4C15H17 ABC3D4E15F17 -140.63 6.04 -9.3 -0.98 0
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80504 49834812 1 SO2F3N3H14C15 AB2C3D3E14F15 -174.56 5.6 -9.42 -1.22 0
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80505 49834819 1 SO2N4C22H22 AB2C4D22E22 5.69 2.17 -8.41 -0.61 0
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80506 49834823 1 BN2O5C18H19 AB2C5D18E19 -224.1 5.97 -9.36 -1.0 0
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80507 49834833 1 FN2O5C23H31 AB2C5D23E31 -197.28 9.1 -8.95 -0.35 0
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80508 49834840 1 N5O15C24H47 A5B15C24D47 -689.59 2.04 -9.38 0.14 0
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80509 49834841 1 F2N5O13C24H45 A2B5C13D24E45 -667.19 5.71 -9.38 0.25 0
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80510 49834846 1 IN3O5C32H40 AB3C5D32E40 -32.37 7.9 -8.13 -1.38 1
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80511 49834847 1 N3O5C32H40 A3B5C32D40 -148.48 4.55 0.0 0.0 0
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80512 49834862 1 NO2C18H31 AB2C18D31 -121.97 4.15 -9.49 -0.42 0
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80513 49834875 1 SF2O6C34H34 AB2C6D34E34 -291.43 10.98 -9.59 -1.0 0
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80514 49834893 1 SN4O5C27H36 AB4C5D27E36 -163.33 10.21 -8.04 -0.52 0
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80515 49834895 1 SN3O4C25H31 AB3C4D25E31 -119.36 8.17 -8.34 -0.71 0
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80516 49834897 1 ClON7H22C23 ABC7D22E23 66.79 0.28 -8.67 -1.12 0
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80517 49834898 1 ClON7H22C23 ABC7D22E23 75.91 1.8 -8.6 -1.11 0
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80518 49834900 1 O2N7C24H25 A2B7C24D25 29.58 2.92 -8.54 -1.18 0
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80519 49834904 1 SN3O5C22H27 AB3C5D22E27 -152.21 4.78 -9.79 -0.73 0
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80520 49834912 1 N2F3O3H19C20 A2B3C3D19E20 -180.41 1.78 -8.39 -0.67 0
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80521 49834917 1 ON6C25H26 AB6C25D26 103.64 4.42 -9.22 -0.92 0