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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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337643 127258266 1 BN3C12H30 AB3C12D30 -106.83 1.28 -8.1 2.24 0
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337644 127258267 1 BN3C30H36 AB3C30D36 34.37 1.99 -8.82 0.07 0
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337645 127258268 1 BClNOH11C17 ABCDE11F17 64.71 4.63 -8.9 -1.14 0
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337646 127258269 1 BNO2C12H12 ABC2D12E12 -7.98 3.51 -8.97 -0.75 0
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337647 127258270 1 BNSO6C11H16 ABCD6E11F16 -283.86 4.75 -9.42 -0.94 0
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337648 127258271 1 FN2O7C34H39 AB2C7D34E39 -251.09 6.77 -8.35 -1.45 -1
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337650 127258273 1 N3O3C22H27 A3B3C22D27 -79.07 3.43 -7.85 -1.45 0
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337651 127258274 1 SN3O5C27H33 AB3C5D27E33 -153.19 3.02 -8.1 -1.25 0
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337652 127258275 1 NO8C24H35 AB8C24D35 -332.3 2.3 -9.01 -0.91 0
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337653 127258276 1 NO8C23H35 AB8C23D35 -343.12 11.12 -9.49 -1.02 0
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337654 127258277 1 ClN2O7C27H35 AB2C7D27E35 -254.35 5.22 -9.12 -0.74 0
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337655 127258278 2 N2O3C16H17 A2B3C16D17 -112.43 12.24 -9.05 -1.22 0
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337656 127258279 1 N4O5C34H36 A4B5C34D36 -80.98 7.63 -9.0 -0.94 0
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337657 127258280 1 N2O8C25H30 A2B8C25D30 -279.2 3.04 -9.07 -0.98 0
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337658 127258281 1 N3O4C20H31 A3B4C20D31 -96.47 2.52 -7.93 -0.92 0
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337659 127258282 1 N2O4C25H30 A2B4C25D30 -126.35 9.84 -9.26 -0.58 0
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337660 127258283 1 NF2O5C27H27 AB2C5D27E27 -204.88 2.3 -9.35 -1.65 0
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337661 127258284 1 NO2C9H15 AB2C9D15 -65.71 3.51 -8.86 -0.21 0
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337662 127258285 1 OC14H22 AB14C22 -48.99 4.41 -9.38 -0.18 0
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337663 127258286 1 BrO2C11H11 AB2C11D11 -44.75 1.88 -9.25 -0.85 0
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337664 127258287 1 O2S2N3C7H9 A2B2C3D7E9 21.36 4.04 -8.97 -1.17 0
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337665 127258288 1 O2S2N3C7H9 A2B2C3D7E9 20.18 4.94 -9.14 -1.4 0
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337666 127258289 1 O2C13H20 A2B13C20 -77.03 3.55 -9.31 0.47 0
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337667 127258290 1 OCl2C12H12 AB2C12D12 -28.47 3.77 -9.7 -0.77 0
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337668 127258291 1 O2N3C10H11 A2B3C10D11 -8.9 5.57 -8.62 -0.85 0
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337669 127258292 1 N3O4C6H9 A3B4C6D9 -119.56 1.98 -10.53 -1.1 0
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337670 127258293 1 N4O5H14C16 A4B5C14D16 -32.54 7.11 -9.4 -2.18 0
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337671 127258294 1 N3O3C17H17 A3B3C17D17 -42.02 3.88 -8.73 -1.23 0
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337672 127258295 2 N2O2H7C8 A2B2C7D8 -6.71 6.47 -8.88 -1.87 0
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337673 127258296 1 ClO2N3H14C16 AB2C3D14E16 -15.11 2.64 -8.83 -1.39 0
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337674 127258297 1 N3O3C17H17 A3B3C17D17 -47.39 3.63 -8.75 -1.23 0
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337675 127258298 2 N2O2H7C8 A2B2C7D8 -7.67 5.09 -8.95 -1.81 0
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337676 127258299 1 ClO2N3H14C16 AB2C3D14E16 -14.81 2.25 -8.8 -1.4 0
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337677 127258300 1 N3O3C17H17 A3B3C17D17 -45.58 5.78 -8.57 -1.07 0
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337678 127258301 2 ON2C8H8 AB2C8D8 2.77 5.71 -8.89 -0.97 0
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337679 127258302 2 N2O2H7C8 A2B2C7D8 -0.76 7.72 -9.46 -1.73 0
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337680 127258303 1 N3O3C6H7 A3B3C6D7 -38.49 3.52 -10.55 -0.68 0
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337681 127258304 1 O2N3H15C17 A2B3C15D17 28.24 3.8 -9.01 -0.96 1
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337682 127258305 1 O2N3H16C17 A2B3C16D17 33.48 6.68 0.0 0.0 0
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337683 127258306 1 N3O3C8H15 A3B3C8D15 -99.56 4.55 -10.25 -0.31 0
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337684 127258307 1 ON3C12H17 AB3C12D17 -4.92 4.89 -8.7 0.19 0
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337685 127258308 1 ON4C16H18 AB4C16D18 52.58 9.6 -7.94 -1.46 0
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337686 127258309 1 N2O3C7H8 A2B3C7D8 -29.37 3.75 -10.26 -0.43 0
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337687 127258310 1 NO2H17C18 AB2C17D18 -23.51 2.34 -9.42 -0.75 0
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337688 127258311 1 SN2O2C13H14 AB2C2D13E14 -60.68 4.87 -8.8 -0.36 0
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337689 127258312 1 N3O4C17H17 A3B4C17D17 -33.32 11.66 -9.06 -1.52 0
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337690 127258313 1 ON3C14H21 AB3C14D21 -2.75 3.06 -8.35 0.32 0
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337691 127258314 3 NOC4H5 ABC4D5 -24.03 4.32 -8.83 -1.38 0
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337692 127258315 1 NCl2O3C13H13 AB2C3D13E13 -115.48 9.17 -8.71 -0.9 0
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337693 127258316 1 NO3C15H19 AB3C15D19 -113.73 5.95 -8.51 -0.56 0
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337694 127258317 1 NBr2O3C13H13 AB2C3D13E13 -96.15 8.01 -8.9 -0.91 0
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337695 127258318 1 NCl2O3C13H13 AB2C3D13E13 -115.9 8.05 -8.82 -0.91 0
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337696 127258319 1 ClN3O3C10H10 AB3C3D10E10 -16.76 5.07 -8.8 -1.45 0
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337697 127258320 1 ClNO3C13H14 ABC3D13E14 -105.96 7.36 -8.64 -0.77 0
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337698 127258321 1 O2N3C18H19 A2B3C18D19 -19.77 4.74 -8.67 -1.01 0
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337699 127258322 1 O2N3C17H17 A2B3C17D17 -11.0 4.38 -8.73 -1.08 0
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337700 127258323 1 NCl2O3C13H13 AB2C3D13E13 -114.65 9.75 -8.72 -0.96 0
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337701 127258324 1 NCl2O3C13H13 AB2C3D13E13 -118.57 9.73 -9.06 -0.99 0
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337702 127258325 1 BrNO3C13H14 ABC3D13E14 -96.4 8.12 -8.81 -0.87 0
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337703 127258326 1 ClN3O3C11H12 AB3C3D11E12 -25.46 5.04 -9.15 -1.49 0
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337704 127258327 1 ClNO3C14H16 ABC3D14E16 -113.17 7.73 -8.99 -0.74 0
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337705 127258328 1 ClNO3C14H16 ABC3D14E16 -117.52 7.09 -8.52 -0.78 0
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337706 127258329 1 ClNO3C13H14 ABC3D13E14 -108.66 8.08 -8.8 -0.86 0
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337707 127258330 1 N2O3C14H14 A2B3C14D14 -66.86 11.21 -8.99 -0.96 0
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337708 127258331 1 BrNO3C14H16 ABC3D14E16 -107.0 9.02 -8.6 -0.84 0
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337709 127258332 1 BrNO3C13H14 ABC3D13E14 -96.62 9.31 -8.66 -0.88 0
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337710 127258333 1 ClNO3C14H16 ABC3D14E16 -116.44 9.03 -8.47 -0.8 0
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337711 127258334 1 N3O3C17H17 A3B3C17D17 -44.89 2.81 -8.25 -1.14 0
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337712 127258335 2 NO2H8C9 AB2C8D9 -31.63 4.81 -8.94 -1.52 0
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337713 127258336 1 BrNO3C14H16 ABC3D14E16 -104.43 8.06 -8.62 -0.82 0
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337714 127258337 1 ClNO3C14H16 ABC3D14E16 -116.48 8.08 -8.58 -0.82 0
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337715 127258338 1 N4O5C7H10 A4B5C7D10 -162.99 5.54 -10.66 -1.44 0
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337716 127258339 1 N4O4C7H8 A4B4C7D8 -84.76 1.46 -10.75 -1.15 0
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337717 127258340 1 NO2C20H23 AB2C20D23 -36.2 5.55 -8.45 -0.02 0
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337718 127258341 1 N4O4C11H16 A4B4C11D16 -102.18 1.89 -10.14 -1.15 0