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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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228214 87563679 1 SCl4O4N8C63H76 AB4C4D8E63F76 -115.47 7.77 -8.57 -1.12 0
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228215 87563680 1 SCl4O4N8C63H76 AB4C4D8E63F76 -100.67 8.62 -8.49 -1.05 0
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228216 87563681 1 NSO4H5C6 ABC4D5E6 -110.88 5.78 -10.63 -1.77 0
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228217 87563682 1 S2F3O3H7C13 A2B3C3D7E13 -212.51 2.85 -8.57 -1.66 0
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228218 87563683 1 O2F3N6H23C28 A2B3C6D23E28 -99.69 4.24 -9.3 -1.32 0
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228219 87563684 1 BrNOH10C11 ABCD10E11 19.38 3.2 -9.79 -0.58 0
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228220 87563685 1 S2F3N3O5H18C25 A2B3C3D5E18F25 -246.99 2.34 -8.69 -1.72 0
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228221 87563689 1 OSN2C9H20 ABC2D9E20 -46.85 3.67 -8.65 -0.19 0
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228222 87563690 1 BrNO3H12C14 ABC3D12E14 -77.21 1.69 -9.22 -1.14 0
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228223 87563693 1 SO2N4C17H18 AB2C4D17E18 -17.44 8.07 -8.41 -0.96 0
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228224 87563695 1 ClSO3N4C17H19 ABC3D4E17F19 -94.59 10.82 -8.87 -1.37 0
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228225 87563697 1 ClOSN4C16H19 ABCD4E16F19 -13.1 11.77 -8.15 -0.57 0
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228226 87563698 1 OSN4C16H18 ABC4D16E18 22.76 11.71 -8.05 -0.31 0
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228227 87563699 1 ClSO2N4H13C15 ABC2D4E13F15 10.16 8.06 -8.97 -1.11 0
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228228 87563700 1 SSiN2O4C26H54 ABC2D4E26F54 -285.34 3.01 -8.49 0.29 0
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228229 87563701 2 NOC4H4 ABC4D4 35.2 5.32 -10.28 -1.55 0
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228230 87563705 2 PC17H17 AB17C17 90.58 2.69 -8.32 0.02 0
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228231 87563706 1 BrNSO3H10C12 ABCD3E10F12 -58.35 2.77 -8.95 -1.19 0
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228232 87563707 1 O7N8H32C37 A7B8C32D37 -56.23 9.12 -8.73 -1.76 0
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228233 87563710 1 BrClSN3O3H15C16 ABCD3E3F15G16 -99.48 5.69 -9.48 -1.54 0
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228234 87563715 1 ClSN3O4C16H16 ABC3D4E16F16 -138.71 2.83 -9.3 -1.27 0
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228235 87563716 1 SN3O4H15C16 AB3C4D15E16 -100.98 8.78 -9.48 -1.34 0
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228236 87563717 1 ClON3C13H14 ABC3D13E14 7.16 4.87 -9.22 -1.04 0
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228237 87563718 1 ClSO2N3C15H16 ABC2D3E15F16 -47.0 5.54 -8.1 -0.46 0
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228238 87563720 1 SF3N3O5C14H14 AB3C3D5E14F14 -297.53 1.38 -9.17 -1.86 0
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228239 87563721 1 ClN3H20C24 AB3C20D24 102.67 5.99 -8.41 -1.15 0
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228240 87563722 1 ClOSN3H8C13 ABCD3E8F13 46.36 7.87 -9.36 -1.27 0
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228241 87563725 1 O2H4F6C9 A2B4C6D9 -364.74 1.87 -10.55 -1.64 0
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228242 87563727 2 ON2H12C13 AB2C12D13 22.34 5.71 -8.03 -0.79 0
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228243 87563733 1 SN3O4C17H19 AB3C4D17E19 -88.25 9.75 -8.17 -0.49 0
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228244 87563735 1 NSF6O6C19H21 ABC6D6E19F21 -557.79 10.4 -10.02 -1.55 0
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228245 87563736 1 O3F5N6H25C29 A3B5C6D25E29 -164.2 11.31 -9.08 -1.48 0
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228246 87563738 1 OC3N5H9 AB3C5D9 -12.26 1.27 -9.48 0.39 0
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228247 87563740 1 O5C9H12 A5B9C12 -208.78 7.58 -11.06 -0.8 0
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228248 87563741 1 FSO2N4H9C12 ABC2D4E9F12 -17.05 5.98 -8.78 -0.96 0
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228249 87563743 1 BrFON2H18C19 ABCD2E18F19 -15.02 5.32 -8.86 -1.02 0
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228250 87563745 2 OC6H7 AB6C7 -68.98 2.39 -9.23 0.09 0
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228251 87563747 1 ON4F6H18C22 AB4C6D18E22 -284.35 8.59 -9.31 -1.44 0
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228252 87563749 2 N2H7C8 A2B7C8 130.11 2.44 -8.06 -0.2 0
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228253 87563750 1 O4N5H23C25 A4B5C23D25 0.55 8.64 -9.15 -1.01 0
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228257 87563754 1 ON3H11C16 AB3C11D16 107.75 2.53 -8.39 -1.93 0
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228258 87563756 1 FOSH7C11 ABCD7E11 -21.28 2.99 -9.43 -0.92 0
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228259 87563758 1 NO3H15C22 AB3C15D22 27.08 5.02 -9.19 -1.29 0
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228260 87563762 1 ClSN3O3C20H24 ABC3D3E20F24 -121.69 7.93 -9.42 -1.32 0
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228261 87563764 1 ClOSN3C19H24 ABCD3E19F24 -37.0 9.63 -8.12 -0.33 0
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228262 87563769 1 O2C17H24 A2B17C24 -78.4 4.92 -8.93 -0.47 0
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228263 87563772 1 PC4O4H9 AB4C4D9 -209.39 5.22 -10.6 0.5 0
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228264 87563775 1 O4F5N7C31H34 A4B5C7D31E34 -292.97 15.3 -9.17 -1.27 1
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228265 87563776 1 F2O2N7C29H34 A2B2C7D29E34 -1.21 22.12 0.0 0.0 0
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228266 87563777 1 SF3O6H13C16 AB3C6D13E16 -348.97 2.52 -9.71 -1.88 0
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228267 87563778 1 S4N5O16C59H71 A4B5C16D59E71 -511.04 14.99 -8.5 -1.25 0
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228268 87563780 1 SO6H12C15 AB6C12D15 -162.13 5.66 -9.3 -1.26 0
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228270 87563783 1 O4N5H9C12 A4B5C9D12 98.47 5.22 -9.81 -1.87 0
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228271 87563784 1 Cl2F4O5N7H37C40 A2B4C5D7E37F40 -273.38 8.85 -8.77 -0.99 0
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228273 87563788 1 ON3F6H11C19 AB3C6D11E19 -272.03 2.02 -10.24 -1.72 0
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228274 87563789 1 N3F6H13C19 A3B6C13D19 -234.27 7.42 -9.94 -1.42 0
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228275 87563790 1 PO15H21C31 AB15C21D31 -443.75 5.13 -9.2 -2.11 0
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228276 87563792 1 PO9H13C16 AB9C13D16 -292.19 3.71 -9.26 -1.94 0
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228277 87563793 1 PO13H21C31 AB13C21D31 -442.03 9.89 -9.24 -1.25 1
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228278 87563796 1 NPC5O5H13 ABC5D5E13 -255.72 5.33 0.0 0.0 0
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228280 87563798 2 NO2C9H14 AB2C9D14 -156.31 2.26 -9.26 0.0 0
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228281 87563799 1 PO5C7H15 AB5C7D15 -286.83 3.21 -9.93 0.56 0
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228282 87563800 1 NOC8H21 ABC8D21 -95.03 1.62 -10.1 2.89 0
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228283 87563801 1 N2O5C30H46 A2B5C30D46 -122.14 2.84 -8.41 -0.2 0
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228284 87563806 1 OCl2N2C14H14 AB2C2D14E14 4.68 3.2 -8.86 -0.77 0
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228285 87563807 1 BrN3O3C12H18 AB3C3D12E18 -111.03 5.47 -9.45 -1.39 -1
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228286 87563808 1 OZrC3H7 ABC3D7 39.89 0.86 0.0 0.0 1
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228287 87563811 1 O2N3Cl4C24H28 A2B3C4D24E28 -53.27 4.46 0.0 0.0 0
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228288 87563814 1 N2O4C17H32 A2B4C17D32 -196.11 1.91 -9.24 0.39 0
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228289 87563816 1 PO15H21C31 AB15C21D31 -531.25 7.79 -8.86 -1.03 0
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228290 87563817 1 NSO3C4H5 ABC3D4E5 -122.28 2.73 -9.7 -0.75 0
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228291 87563820 1 BrSN3O3H14C16 ABC3D3E14F16 -67.31 4.37 -9.03 -1.28 0
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228292 87563827 2 NO2C11H22 AB2C11D22 -260.94 2.01 -9.65 -0.31 0
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228293 87563830 1 O5N6C37H46 A5B6C37D46 -147.91 2.12 -8.02 0.06 0
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228294 87563836 1 SN2O5C15H16 AB2C5D15E16 -100.31 9.05 -9.32 -1.19 0