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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
Show
199520 79259593 1 OCl3N3H6C11 AB3C3D6E11 19.14 6.18 -9.64 -1.66 0
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199521 79259633 1 ON5C9H15 AB5C9D15 4.18 4.34 -9.24 -0.25 0
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199522 79259987 1 SN2C17H22 AB2C17D22 26.54 3.75 -8.57 -0.04 0
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199523 79260311 1 ON3C15H19 AB3C15D19 11.54 1.12 -9.04 -0.15 0
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199524 79260625 1 SO2N3H13C14 AB2C3D13E14 14.86 2.39 -8.61 -0.77 0
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199525 79260912 2 NOF3C4H6 ABC3D4E6 -416.47 6.31 -9.9 0.06 0
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199526 79261101 1 OF3N3C8H16 AB3C3D8E16 -209.29 7.76 -9.49 0.72 0
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199527 79261106 1 N2F3O3C10H15 A2B3C3D10E15 -301.01 9.29 -9.7 0.04 0
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199528 79261994 1 N2F3O5C11H11 A2B3C5D11E11 -264.65 4.9 -9.94 -1.41 0
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199529 79261995 1 F3N3O3C12H16 A3B3C3D12E16 -272.37 9.41 -9.18 -1.19 0
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199530 79262151 1 N5C16H27 A5B16C27 30.34 2.53 -8.52 0.09 0
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199531 79262566 1 ClNO5C14H14 ABC5D14E14 -163.82 5.2 -9.39 -0.92 0
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199532 79262639 1 BrON2C17H19 ABC2D17E19 30.13 1.74 -9.05 -0.4 0
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199533 79263279 1 NO3C15H19 AB3C15D19 -106.26 2.28 -9.12 0.18 0
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199534 79263455 1 N2F3O4C12H19 A2B3C4D12E19 -354.29 4.91 -10.14 -0.45 0
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199535 79264419 3 FNOC4H6 ABCD4E6 -269.63 6.09 -9.31 -0.2 0
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199536 79264813 1 O2N3C13H13 A2B3C13D13 6.26 7.38 -9.58 -1.56 0
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199537 79264840 1 NF3O4C13H14 AB3C4D13E14 -302.38 4.47 -8.79 -0.57 0
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199538 79264841 1 NF3O4H12C13 AB3C4D12E13 -293.03 2.96 -9.36 -1.2 0
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199539 79264842 1 F3N3O5C10H12 A3B3C5D10E12 -364.03 5.72 -10.53 -0.59 0
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199540 79264843 1 F3N3O5C10H12 A3B3C5D10E12 -376.81 6.58 -10.49 -1.01 0
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199541 79264844 1 F3N3O3C12H20 A3B3C3D12E20 -297.66 6.16 -9.24 -0.18 0
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199542 79264845 1 F3N3O5C10H12 A3B3C5D10E12 -367.91 3.9 -10.82 -1.03 0
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199543 79264846 1 ClN2F3O3C12H12 AB2C3D3E12F12 -277.81 5.18 -9.8 -0.74 0
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199544 79264875 1 SN2O4C14H20 AB2C4D14E20 -165.16 1.67 -9.57 -0.99 0