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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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21346 587980 1 NSC10H17 ABC10D17 -10.97 0.95 -8.99 -0.07 0
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21347 587981 1 O6C11H14 A6B11C14 -244.98 7.05 -10.59 -0.81 0
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21348 587982 1 SN2O2C16H28 AB2C2D16E28 -137.79 5.47 -9.29 -0.15 0
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21349 587983 1 N2O3C16H28 A2B3C16D28 -172.53 7.32 -9.58 0.6 0
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21350 587984 1 BrNOSC15H20 ABCDE15F20 -47.57 2.62 -8.99 -0.4 0
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21351 587986 1 SiCl3C4H9 AB3C4D9 -114.57 1.32 -10.05 -0.39 0
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21352 587988 1 O3C11H18 A3B11C18 -147.35 5.57 -10.21 -0.23 0
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21353 587989 1 NO2C7H11 AB2C7D11 -101.5 4.03 -10.26 0.12 0
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21354 587990 1 ClO3N4H9C11 AB3C4D9E11 -74.94 2.89 -9.42 -1.56 0
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21355 587994 1 NOH6F9C11 ABC6D9E11 -498.11 3.22 -10.04 -1.15 0
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21356 587996 2 FOC6H7 ABC6D7 -178.59 3.22 -10.32 -1.0 0
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21357 588000 1 SN3O3C16H17 AB3C3D16E17 -70.09 2.56 -9.1 -0.67 0
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21358 588006 1 NOSiC9H17 ABCD9E17 -66.92 3.37 -9.93 0.83 0
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21359 588008 1 SBr3O3H7C12 AB3C3D7E12 -51.72 5.46 -9.48 -1.1 0
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21360 588012 2 ClOH6C7 ABC6D7 -63.17 0.03 -9.54 -0.5 0
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21361 588015 1 PSO2C10H21 ABC2D10E21 -182.24 1.93 -9.44 0.06 0
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21362 588020 1 ClO4C16H23 AB4C16D23 -212.2 5.29 -9.95 -0.11 0
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21363 588022 1 F2O2C13H16 A2B2C13D16 -181.41 2.81 -10.37 -1.06 0
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21364 588023 2 OC4H7 AB4C7 -100.51 3.9 -9.43 1.62 0
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21365 588025 1 OSiC9H18 ABC9D18 -90.12 1.39 -9.08 0.85 0
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21366 588027 1 N2C11H24 A2B11C24 -18.45 1.58 -8.11 1.34 0
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21367 588028 1 O4C11H18 A4B11C18 -208.74 3.87 -10.86 0.72 0
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21368 588034 1 ClNOH14C15 ABCD14E15 -20.06 4.92 -8.82 -0.16 0
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21369 588035 1 ClC15H17 AB15C17 61.28 1.6 -9.25 -0.3 0
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21370 588040 1 SN2O3C7H8 AB2C3D7E8 -100.3 4.62 -9.62 -1.0 0
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21371 588042 1 BrF2N2O2C7H9 AB2C2D2E7F9 -148.85 4.62 -9.84 -1.47 0
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21372 588043 1 FNOSCl2H10C15 ABCDE2F10G15 -49.73 1.96 -9.23 -1.06 0
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21373 588044 1 N2O2F3C7H9 A2B2C3D7E9 -206.82 4.9 -9.97 -0.2 0
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21374 588045 1 N2O2F5C8H9 A2B2C5D8E9 -306.63 4.64 -9.94 -0.12 0
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21375 588051 1 O3C21H34 A3B21C34 -188.01 2.75 -9.69 1.66 0
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21376 588054 1 B2N4O7C17H24 A2B4C7D17E24 -383.98 7.78 -9.29 -0.57 0
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21377 588055 1 ClF2H7C8 AB2C7D8 -93.78 2.93 -10.18 -0.65 0
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21378 588056 1 ClNC7H8 ABC7D8 9.44 3.05 -9.68 -0.3 0
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21379 588063 1 N2O3C7H12 A2B3C7D12 -96.49 2.33 -9.59 0.34 0
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21380 588065 1 FN2C22H23 AB2C22D23 21.53 3.17 -8.68 -0.36 0
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21381 588067 1 B4O11C20H34 A4B11C20D34 -733.79 2.03 -10.28 0.91 0
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21382 588068 1 ClO2N4H9C10 AB2C4D9E10 20.53 7.01 -9.62 -0.86 0
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21383 588070 1 SN2O6H16C20 AB2C6D16E20 -129.53 3.65 -9.61 -1.69 0
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21384 588072 1 SN3O6H9C16 AB3C6D9E16 -35.16 5.91 -9.71 -1.73 0
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21385 588077 1 OF2N2H6C10 AB2C2D6E10 -66.18 4.47 -9.97 -1.34 0
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21386 588079 1 OSN2F4H8C16 ABC2D4E8F16 -128.32 6.03 -9.17 -1.26 0
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21387 588080 1 OF2N3H7C10 AB2C3D7E10 -45.74 4.8 -10.22 -1.46 0
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21388 588081 1 ClOF2H3C7 ABC2D3E7 -114.98 3.45 -10.86 -1.53 0
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21389 588082 1 ClOF2H3C7 ABC2D3E7 -113.19 3.68 -10.52 -1.59 0
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21390 588086 1 F2O3H10C15 A2B3C10D15 -159.08 2.91 -9.78 -1.28 0
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21391 588092 1 SN2O4H17C19 AB2C4D17E19 -51.45 5.09 0.0 0.0 1
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21392 588093 1 NOF2C11H11 ABC2D11E11 -112.18 5.02 -9.49 -0.69 0
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21393 588097 1 SO2F6H6C9 AB2C6D6E9 -382.37 3.84 -9.63 -1.16 0
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21394 588099 1 F2N3O4C13H13 A2B3C4D13E13 -159.98 8.47 -8.74 -1.41 0
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21395 588109 1 SO2H18C22 AB2C18D22 -7.88 5.27 -8.84 -0.77 0