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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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227725 87562319 1 SN3O4C19H21 AB3C4D19E21 -72.84 7.48 -8.58 -1.23 0
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227726 87562320 2 Cl2N6O6H15C20 A2B6C6D15E20 -242.06 4.65 -9.47 -2.12 0
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227727 87562321 1 ClON4H11C14 ABC4D11E14 34.9 4.53 -9.04 -1.22 0
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227728 87562322 1 ClN4H13C14 AB4C13D14 76.35 4.96 -8.86 -0.82 1
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227729 87562325 1 F2N2O3H5C9 A2B2C3D5E9 -125.02 7.21 0.0 0.0 0
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227730 87562326 1 F2N2O3H4C9 A2B2C3D4E9 -118.93 6.52 -9.88 -1.01 1
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227731 87562327 1 F2N2O3H5C9 A2B2C3D5E9 -119.57 2.36 0.0 0.0 0
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227732 87562329 1 NP2S2C88H181 AB2C2D88E181 -539.98 9.06 -8.66 0.23 0
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227733 87562346 1 NO3C5H9 AB3C5D9 -126.55 8.17 -10.16 0.05 0
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227734 87562348 1 NO3C5H9 AB3C5D9 -125.98 3.63 -9.31 -0.09 0
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227735 87562358 1 F3N3O4C16H18 A3B3C4D16E18 -217.6 5.91 -8.92 -0.94 0
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227736 87562361 1 OSN2C4H4 ABC2D4E4 45.74 2.39 -9.41 -0.94 0
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227737 87562362 1 SSiO3C10H19 ABC3D10E19 -106.47 2.78 0.0 0.0 0
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227738 87562363 1 SSiO3C10H22 ABC3D10E22 -244.02 4.07 -8.13 0.55 0
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227739 87562365 1 ClO2N3H12C19 AB2C3D12E19 73.74 2.43 -9.38 -1.56 0
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227740 87562366 1 N3O4C9H17 A3B4C9D17 -179.69 4.88 -9.18 0.06 0
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227741 87562367 1 ClO3N5H18C19 AB3C5D18E19 -15.62 4.38 -9.8 -0.76 0
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227742 87562368 1 BrO2N6C17H21 AB2C6D17E21 -11.57 2.81 -8.97 -0.92 0
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227743 87562369 1 BrSiO2N4C29H29 ABC2D4E29F29 24.93 4.36 -8.65 -1.39 0
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227744 87562370 1 ClO2N3C11H12 AB2C3D11E12 -29.19 4.01 -9.2 -0.92 0
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227745 87562372 1 FO3H13C15 AB3C13D15 -49.24 1.57 -9.05 -0.25 0
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227746 87562373 1 NO3C10H21 AB3C10D21 -179.83 4.58 -9.51 0.92 0
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227747 87562374 1 N2O3C43H82 A2B3C43D82 -246.19 2.1 -8.8 0.15 0
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227748 87562376 1 S2N4O5C23H26 A2B4C5D23E26 -149.74 6.67 -9.26 -1.26 0
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227749 87562378 1 O3N5C25H25 A3B5C25D25 28.52 3.93 -9.22 -1.16 0
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227750 87562381 1 ClN2O4H29C30 AB2C4D29E30 -49.89 3.11 -8.82 -1.21 0
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227751 87562383 1 SO3C11H14 AB3C11D14 -76.32 4.16 -9.22 -0.34 0
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227752 87562389 1 BrO2N3C10H14 AB2C3D10E14 -60.55 2.88 -9.41 -0.82 0
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227753 87562392 1 O3N5C12H15 A3B5C12D15 -57.91 6.54 -9.19 -0.95 0
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227754 87562396 1 S2F3N6O6H17C20 A2B3C6D6E17F20 -240.71 8.51 -8.92 -1.97 0
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227755 87562397 1 SN2O3F6H16C21 AB2C3D6E16F21 -333.2 4.31 -9.56 -1.72 0
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227756 87562398 1 SN2O3F6H16C21 AB2C3D6E16F21 -333.17 4.26 -9.57 -1.73 0
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227757 87562401 1 Cl2O2N7C29H31 A2B2C7D29E31 87.6 6.38 -9.08 -2.12 0
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227758 87562403 2 N2O2H12C13 A2B2C12D13 0.59 2.72 -9.03 -1.18 0
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227759 87562406 1 ClNO3C9H10 ABC3D9E10 -42.75 1.72 -10.17 -1.33 0
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227760 87562407 1 BrCl2O2F3N4H32C34 AB2C2D3E4F32G34 -182.82 4.97 -9.39 -1.13 0
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227761 87562410 1 O9H18C20 A9B18C20 -320.51 6.95 -10.24 -0.69 0
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227762 87562411 1 SO2N7C22H25 AB2C7D22E25 39.51 5.62 -8.63 -0.85 0
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227763 87562414 1 F3N3S3O4H24C29 A3B3C3D4E24F29 -188.36 3.37 -9.12 -1.38 0
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227764 87562416 1 ON3H13C19 AB3C13D19 108.48 6.01 -9.08 -1.9 0
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227765 87562417 1 NSeO3C17H33 ABC3D17E33 -190.0 10.55 -7.91 0.56 0
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227766 87562427 1 NSCl2O3C5H9 ABC2D3E5F9 -133.94 1.52 -9.26 -1.63 0
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227767 87562432 1 ClSN2O2C12H13 ABC2D2E12F13 -32.37 2.43 -8.5 -0.88 0
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227768 87562437 1 ON2C6H8 AB2C6D8 -11.8 1.49 -10.63 -0.81 0
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227769 87562439 1 S2O4N7C23H27 A2B4C7D23E27 -47.52 3.93 -9.17 -1.24 0
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227770 87562445 1 ClO2N3C10H10 AB2C3D10E10 -21.88 4.23 -9.07 -0.85 0
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227771 87562446 1 BrN3O3C17H20 AB3C3D17E20 -76.97 4.53 -9.08 -0.78 0
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227772 87562448 2 O4N7C11H25 A4B7C11D25 -128.07 6.45 -8.68 0.48 0
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227773 87562452 1 N2O3H12C15 A2B3C12D15 21.39 7.27 -8.97 -1.16 0
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227774 87562456 1 BrFO2H8C9 ABC2D8E9 -38.27 4.62 -9.56 -0.51 0