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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404265 135065632 1 O2N3H21C26 A2B3C21D26 50.99 2.57 -9.05 -1.3 0
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404266 135065633 1 F3N4O4H19C31 A3B4C4D19E31 -65.2 5.26 -8.94 -1.97 0
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404267 135065634 1 F3N4O4H21C32 A3B4C4D21E32 -84.07 2.81 -9.76 -2.1 0
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404268 135065635 1 Cl2N2O5C16H16 A2B2C5D16E16 -176.55 3.81 -9.44 -1.02 0
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404269 135065636 1 O5C10H16 A5B10C16 -129.47 3.35 -9.73 -0.61 0
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404270 135065637 1 ClN2O4H23C25 AB2C4D23E25 -88.62 3.65 -8.21 -0.78 0
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404271 135065638 1 NSO3H27C29 ABC3D27E29 -29.34 8.0 -9.28 -0.56 0
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404272 135065639 1 NO4C16H29 AB4C16D29 -217.81 1.84 -9.92 -0.34 0
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404273 135065640 1 NF2O4C18H19 AB2C4D18E19 -226.92 3.13 -9.59 -1.12 0
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404274 135065641 1 O2S2N3C24H25 A2B2C3D24E25 16.88 5.56 -8.8 -1.21 0
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404275 135065643 1 NSO5C11H15 ABC5D11E15 -189.27 4.43 -9.93 -0.26 0
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404276 135065645 1 NPO3Cl6C10H18 ABC3D6E10F18 -259.45 4.47 -10.31 -0.76 0
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404277 135065646 1 O5C13H16 A5B13C16 -204.69 2.27 -8.92 0.09 0
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404278 135065647 1 NF3O3H16C17 AB3C3D16E17 -251.31 3.37 -9.82 -1.0 0
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404279 135065650 1 NOC14H21 ABC14D21 -49.15 3.89 -9.72 -0.24 0
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404280 135065651 1 O3C13H22 A3B13C22 -127.13 0.64 -10.24 0.38 0
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404281 135065652 1 NO4C13H23 AB4C13D23 -182.05 1.4 -9.7 -0.11 0
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404282 135065653 1 BrCl2O2F3H10C17 AB2C2D3E10F17 -170.33 3.11 -9.94 -1.32 0
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404283 135065654 1 O2F3H13C17 A2B3C13D17 -151.91 4.46 -9.83 -0.89 0
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404284 135065749 1 SO6C13H18 AB6C13D18 -244.74 7.01 -9.32 -0.26 0
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404285 135065750 1 PO4C11H17 AB4C11D17 -217.29 4.97 -9.29 0.23 0
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404286 135065752 1 NSO7C12H15 ABC7D12E15 -207.12 5.41 -10.92 -1.75 0
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404287 135065753 2 OC9H10 AB9C10 -61.56 1.81 -9.47 0.13 0
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404288 135065754 1 NF3O3C18H22 AB3C3D18E22 -306.35 3.31 -10.07 -0.66 0
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404289 135065757 2 O2C7H10 A2B7C10 -169.14 3.53 -8.97 0.03 0
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404290 135065758 1 ClNO4H16C17 ABC4D16E17 -134.22 4.91 -9.74 -0.43 0
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404291 135065759 1 BrNO4H16C17 ABC4D16E17 -122.38 4.85 -9.77 -0.57 0
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404292 135065760 1 PO4C7H17 AB4C7D17 -262.74 1.94 -10.39 1.25 0
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404293 135065761 1 OSiC18H36 ABC18D36 -110.47 2.16 -8.98 0.82 0
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404294 135065762 1 PO3C18H21 AB3C18D21 -128.37 5.19 -9.75 -0.13 0
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404295 135065763 1 NO4C16H23 AB4C16D23 -174.99 2.63 -9.4 0.21 0
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404296 135065764 1 FOH23C25 ABC23D25 -11.85 1.7 -8.64 -0.64 0
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404297 135065766 1 ClFNOH13C16 ABCDE13F16 -32.96 1.73 -9.76 -0.75 0
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404298 135065768 1 ClNOBr2H12C16 ABCD2E12F16 19.58 1.06 -9.79 -1.01 0
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404299 135065769 1 ClNSO2F3C11H13 ABCD2E3F11G13 -248.94 7.78 -10.22 -0.81 0
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404300 135065770 1 OCl3F3H10C11 AB3C3D10E11 -222.88 2.1 -9.26 -0.72 0
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404301 135065771 1 PSN2O4C23H23 ABC2D4E23F23 -109.72 4.16 -8.47 -0.34 0
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404302 135065772 1 ClNO3H16C18 ABC3D16E18 -68.1 5.5 -8.52 -0.74 0
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404303 135065774 1 NO3C23H25 AB3C23D25 -86.61 2.06 -8.26 -0.37 0
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404304 135065775 1 N2O4C25H32 A2B4C25D32 -146.75 3.7 -9.37 -0.22 0
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404305 135065778 1 SN2F3O4H21C25 AB2C3D4E21F25 -227.72 8.73 -9.6 -1.27 0
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404306 135065779 1 ClSN2O4C15H15 ABC2D4E15F15 -43.16 3.65 -9.74 -2.07 0
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404307 135065780 1 ClNSO3C17H20 ABCD3E17F20 -98.4 7.25 -9.13 -0.06 0
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404308 135065781 1 SeCl2C9H10 AB2C9D10 -3.21 2.28 -8.84 -0.62 0
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404309 135065783 1 OSN2H14C16 ABC2D14E16 53.77 5.53 -8.37 -0.34 0
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404310 135065784 1 ON2C21H22 AB2C21D22 46.17 4.83 -8.5 -0.17 0
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404311 135065785 1 ON2F3H21C23 AB2C3D21E23 -86.72 6.37 -9.02 -0.57 0
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404312 135065786 1 N2C17H22 A2B17C22 46.69 2.29 -9.19 0.55 0
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404313 135065823 1 NSO3C11H15 ABC3D11E15 -80.0 6.78 -10.0 -0.56 0
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404314 135065867 1 OC17H22 AB17C22 39.84 4.34 -9.24 -1.01 0
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404315 135065874 1 IPO2C14H14 ABC2D14E14 -66.46 3.65 -9.58 -0.97 0
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404316 135065884 1 PSN2O6C24H27 ABC2D6E24F27 -235.25 7.65 -9.3 -0.38 0
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404317 135065885 1 PSN2O6C30H31 ABC2D6E30F31 -203.26 6.2 -9.49 -0.38 0
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404318 135065886 1 PSiN2O5C20H31 ABC2D5E20F31 -244.97 4.36 -9.7 -0.48 0
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404319 135065887 1 NPO2H22C23 ABC2D22E23 -47.78 3.92 -8.48 -0.27 0
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404320 135065888 1 PO3C20H27 AB3C20D27 -184.18 5.06 -8.7 0.1 0
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404321 135065889 1 PCl2O3C16H17 AB2C3D16E17 -167.36 3.99 -9.11 -0.62 0
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404322 135065890 1 PO4C17H17 AB4C17D17 -133.21 2.7 -8.84 -0.5 0
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404323 135065891 1 PO2H19C21 AB2C19D21 -36.12 2.69 -9.42 -0.02 0
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404324 135065892 1 PSN4O14C65H65 ABC4D14E65F65 -446.6 14.39 -8.78 -0.37 0
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404325 135065893 1 PSN4O14C65H65 ABC4D14E65F65 -431.13 3.17 -8.72 -0.8 0
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404326 135065894 1 PSN4O14C70H75 ABC4D14E70F75 -475.89 4.63 -8.88 -0.48 0
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404327 135065895 1 PSeN4O14C65H65 ABC4D14E65F65 -376.25 7.14 -8.69 -0.59 0
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404328 135065896 1 SnO5C40H52 AB5C40D52 -118.14 3.84 -7.93 -0.3 0
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404329 135065897 1 SiO5C31H34 AB5C31D34 -116.57 5.49 -7.93 -0.19 0
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404330 135065898 1 SO3C18H20 AB3C18D20 -45.02 1.16 -8.49 -0.14 0
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404331 135065899 2 BTeH10F15C34 ABC10D15E34 -999.21 10.66 -9.07 -2.49 0
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404332 135065900 2 BTeF10H15C34 ABC10D15E34 -566.69 10.2 -8.94 -2.24 0
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404333 135065901 2 BTeF10H13C29 ABC10D13E29 -637.61 10.02 -8.9 -2.17 0
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404334 135065903 1 NO2C15H17 AB2C15D17 -19.07 2.57 -8.98 -0.48 0
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404335 135065904 1 ClN2O4H21C27 AB2C4D21E27 -53.82 2.9 -8.62 -1.09 -2
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404336 135065905 1 BMoSeO2N6C24H32 ABCD2E6F24G32 272.98 6.97 0.0 0.0 1
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404337 135065906 1 MoSeC7H9 ABC7D9 170.85 6.02 0.0 0.0 2
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404339 135065910 1 BTeF10H17C29 ABC10D17E29 -349.06 3.57 -8.23 -1.8 0
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404340 135065911 2 C10H13 A10B13 4.79 0.7 -8.96 0.43 0