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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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194695 78577281 1 S2N3O4C19H26 A2B3C4D19E26 -98.44 3.82 0.0 0.0 0
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194696 78577282 1 SN2O2F3H15C20 AB2C2D3E15F20 -140.25 3.48 -8.85 -1.24 0
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194697 78577283 2 NO2C8H11 AB2C8D11 -181.65 3.0 -9.69 -0.24 0
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194698 78577284 1 ClFOSN2H14C19 ABCDE2F14G19 -2.87 4.69 -8.86 -1.2 0
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194699 78577324 1 N3O4C20H21 A3B4C20D21 -70.56 3.16 -8.81 -1.01 1
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194700 78577663 1 OCl2N5C22H22 AB2C5D22E22 26.45 6.17 0.0 0.0 2
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194701 78577869 1 ClO3N4C23H23 AB3C4D23E23 13.3 8.3 -5.81 -0.41 2
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194702 78577870 1 FO3N4C23H23 AB3C4D23E23 -80.62 4.33 -8.08 -0.31 2
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194703 78578211 1 N2O2C17H18 A2B2C17D18 -9.72 2.95 -7.7 -0.48 2
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194704 78578269 2 NOC6H8 ABC6D8 -43.32 2.42 -7.92 -0.48 0
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194705 78578483 2 NSO3H12C15 ABC3D12E15 -152.03 1.14 -9.06 -1.24 0
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194706 78579454 1 N2S2F3O5H29C35 A2B2C3D5E29F35 -265.4 4.57 -8.74 -0.86 0
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194707 78579636 1 FS2N3O6H30C35 AB2C3D6E30F35 -192.93 3.58 -8.7 -0.94 0
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194708 78579637 1 FN2S2O7H27C30 AB2C2D7E27F30 -256.03 0.53 -8.65 -0.84 0
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194709 78579638 1 FS2N3O6H30C38 AB2C3D6E30F38 -166.38 5.92 -8.51 -1.0 0
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194710 78579639 1 ClFS2N3O6H25C33 ABC2D3E6F25G33 -200.12 3.21 -8.57 -0.95 0
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194711 78579927 1 BrClS2N3O5H21C32 ABC2D3E5F21G32 -86.61 2.74 -8.77 -1.34 0
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194712 78580078 1 S2F3N3O6H26C35 A2B3C3D6E26F35 -290.68 4.37 -8.67 -1.36 0
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194713 78580264 1 ClS2N3O6H22C29 AB2C3D6E22F29 -148.13 0.41 -8.5 -1.26 0
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194714 78580617 1 S2N3F4O5H25C34 A2B3C4D5E25F34 -305.19 3.17 -9.07 -0.89 0
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194715 78580618 1 S2F3N3O6H30C39 A2B3C3D6E30F39 -280.51 4.36 -8.49 -0.88 0
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194716 78580619 1 Cl2S2F3N3O6H26C35 A2B2C3D3E6F26G35 -312.58 6.45 -8.91 -0.95 0
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194717 78580698 1 S2N3O7H27C32 A2B3C7D27E32 -200.15 4.24 -8.84 -1.35 0
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194718 78580734 1 ClS2F3N3O5H19C29 AB2C3D3E5F19G29 -267.49 3.36 -8.99 -1.07 0
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194719 78580735 1 S2N3O7H27C35 A2B3C7D27E35 -174.45 3.97 -8.62 -1.34 0
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194720 78580736 1 S2N3O7H27C35 A2B3C7D27E35 -176.07 3.99 -8.64 -1.35 0
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194721 78580790 1 S2N3O6H27C28 A2B3C6D27E28 -175.69 2.15 -8.67 -1.07 0
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194722 78581304 1 ClS2N3O6H28C31 AB2C3D6E28F31 -178.71 5.84 -8.93 -0.77 0
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194723 78581513 1 ClS2N3O6H28C31 AB2C3D6E28F31 -174.78 4.87 -8.96 -0.82 0
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194724 78582015 1 S2N3O7H33C37 A2B3C7D33E37 -203.74 7.08 -9.01 -0.99 0
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194725 78582097 1 FBr2S2N3O5H18C28 AB2C2D3E5F18G28 -138.97 3.0 -9.25 -1.39 0
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194726 78582239 1 N3O4H23C24 A3B4C23D24 -68.19 14.06 -8.96 -1.2 0
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194727 78582421 1 ON2C13H20 AB2C13D20 -38.96 2.42 -9.48 -0.14 0
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194728 78582613 1 Cl2N2O4C19H20 A2B2C4D19E20 -92.69 5.86 -8.68 -0.67 0
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194729 78582685 1 BrFNO3H17C18 ABCD3E17F18 -131.71 1.93 -9.77 -0.81 0
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194730 78582686 1 BrNO3C20H20 ABC3D20E20 -94.8 4.58 -9.48 -1.15 0
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194731 78582687 1 BrN2O3C15H15 AB2C3D15E15 -55.83 7.17 -10.3 -1.4 0
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194732 78582881 1 FNOCl2C17H18 ABCD2E17F18 -119.45 3.77 -9.12 -0.61 0
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194733 78582882 1 FN2O4C24H25 AB2C4D24E25 -142.04 6.21 -8.81 -0.8 0
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194734 78583308 1 NF2O5H17C20 AB2C5D17E20 -213.58 6.92 -9.16 -1.53 0
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194735 78583389 1 NO2H17C22 AB2C17D22 12.4 1.93 -8.87 -1.46 0
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194736 78583390 1 BrFNO2H13C18 ABCD2E13F18 -45.18 5.23 -9.42 -1.46 0
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194737 78583391 1 NO4C22H23 AB4C22D23 -90.55 3.71 -8.28 -1.38 0
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194738 78583392 1 ClNO4C22H22 ABC4D22E22 -100.93 3.66 -8.67 -1.6 0
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194739 78583644 1 SN3O5C19H21 AB3C5D19E21 -86.53 7.67 -8.92 -1.31 0
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194740 78583826 1 OSCl3N3H14C16 ABC3D3E14F16 33.74 6.65 -8.53 -0.96 -1
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194741 78583880 1 F2S2N3O3H14C17 A2B2C3D3E14F17 -62.17 3.85 0.0 0.0 0
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194742 78583881 1 F2S2N3O3H15C17 A2B2C3D3E15F17 -120.36 4.7 -8.96 -1.46 0
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194743 78583882 1 F2S2N4C19H24 A2B2C4D19E24 -44.11 5.69 -8.3 -1.11 0
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194744 78584859 1 SN2O2H16C20 AB2C2D16E20 54.58 3.95 -8.3 -1.33 0