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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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427210 135156136 1 FOSN4C18H19 ABCD4E18F19 -22.28 6.24 -9.64 -1.6 0
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427211 135156137 1 ClF2O2N8C30H33 AB2C2D8E30F33 -97.64 5.01 -8.75 -0.89 0
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427212 135156140 1 Cl2N6H26C29 A2B6C26D29 124.49 3.25 -8.48 -0.78 0
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427213 135156145 1 FN2O2H13C14 AB2C2D13E14 -50.44 4.18 -10.45 -1.35 0
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427214 135156204 2 ClN4H12C13 AB4C12D13 156.73 3.74 -8.32 -0.3 0
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427215 135156215 1 Cl2N6H26C29 A2B6C26D29 123.59 3.4 -8.46 -0.85 0
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427216 135156220 1 FNOSC14H14 ABCDE14F14 -37.56 1.48 -8.47 -0.64 0
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427217 135156221 1 ClSF2O3N7H24C29 ABC2D3E7F24G29 -72.64 5.79 -8.84 -1.2 0
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427218 135156240 1 SCl2O2N6H22C23 AB2C2D6E22F23 18.78 6.88 -8.65 -0.78 0
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427219 135156241 1 SCl2O2N6C25H26 AB2C2D6E25F26 8.49 4.68 -8.67 -0.81 0
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427220 135156242 1 FCl2N6H21C27 AB2C6D21E27 90.49 4.1 -8.39 -0.9 0
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427221 135156243 1 ClSN3O3F4H16C21 ABC3D3E4F16G21 -249.77 3.88 -9.56 -1.28 0
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427222 135156244 1 OSN5C19H23 ABC5D19E23 32.32 7.48 -8.83 -1.48 0
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427223 135156245 1 SN4C19H22 AB4C19D22 78.37 4.84 -8.84 -1.05 0
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427224 135156246 1 FOSN5C20H24 ABCD5E20F24 -6.32 10.93 -8.76 -0.93 0
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427225 135156247 1 ClF3O3N5H13C21 AB3C3D5E13F21 -157.05 11.97 -9.78 -1.87 0
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427226 135156269 1 FSN3O4C22H24 ABC3D4E22F24 -130.8 5.12 -9.48 -1.38 0
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427227 135156275 1 ClN2O2C15H23 AB2C2D15E23 -112.38 3.58 -9.4 -0.8 0
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427228 135156276 1 OSN3H23C24 ABC3D23E24 62.79 4.96 -9.07 -1.52 0
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427229 135156279 1 FOCl2N7H24C29 ABC2D7E24F29 34.37 3.27 -8.82 -0.81 0
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427230 135156282 1 OCl2N6C26H26 AB2C6D26E26 45.16 1.45 -8.77 -0.86 0
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427231 135156286 1 ClSN4O4H15C17 ABC4D4E15F17 -56.21 7.13 -9.05 -1.05 0
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427232 135156288 1 FSO3N4C20H23 ABC3D4E20F23 -98.45 10.43 -9.62 -1.61 0
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427233 135156289 1 OSN3C19H21 ABC3D19E21 9.78 7.4 -9.16 -1.21 0
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427234 135156290 1 OSN3C19H21 ABC3D19E21 11.15 6.99 -9.45 -1.27 0
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427235 135156291 1 FCl2N6H21C27 AB2C6D21E27 93.14 3.42 -8.72 -0.82 0
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427236 135156334 1 FOSN5C22H26 ABCD5E22F26 -19.21 10.02 -9.42 -1.52 0
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427237 135156352 1 ON2C20H24 AB2C20D24 -12.49 3.62 -8.85 -0.61 1
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427238 135156363 1 SN4O5C41H47 AB4C5D41E47 -120.1 11.75 0.0 0.0 0
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427239 135156377 1 KNSO3H14C15 ABCD3E14F15 -140.82 8.24 -8.65 -0.7 0
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427240 135156378 1 NSO3C15H15 ABC3D15E15 -78.18 3.49 -8.94 -1.07 0
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427241 135156383 1 ClO5N6H33C34 AB5C6D33E34 -107.03 3.65 -8.68 -1.06 1
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427242 135156385 1 ClKN2S4O12C36H44 ABC2D4E12F36G44 -501.94 12.67 -6.72 -0.77 0
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427243 135156387 1 O2N3C24H31 A2B3C24D31 -53.91 3.49 -8.24 -0.23 0
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427244 135156388 2 NO2C9H12 AB2C9D12 -141.38 5.22 -9.62 -0.74 0
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427245 135156407 1 ON3C23H29 AB3C23D29 -6.15 6.31 -8.43 -0.21 0
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427246 135156408 3 OC4H8 AB4C8 -113.9 2.56 -9.76 -0.22 0
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427247 135156410 1 NO3C19H27 AB3C19D27 -123.71 4.72 -8.75 -0.42 0
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427248 135156414 1 NO4C20H27 AB4C20D27 -184.23 7.88 -9.51 -0.6 0
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427249 135156415 1 NO4C20H27 AB4C20D27 -184.71 5.27 -9.55 -0.7 0
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427250 135156420 1 FON3C24H32 ABC3D24E32 -81.39 4.58 -8.53 -0.47 0
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427251 135156421 1 FSO2N4C18H19 ABC2D4E18F19 -57.58 9.77 -9.6 -1.41 0
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427252 135156423 1 ON3C21H27 AB3C21D27 -18.67 4.42 -8.24 -0.33 0
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427253 135156424 1 NO4C18H23 AB4C18D23 -173.18 7.53 -9.66 -0.7 0
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427254 135156425 1 N3O4C26H33 A3B4C26D33 -153.08 7.74 -9.0 -0.64 0
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427255 135156461 1 ON4F7H11C21 AB4C7D11E21 -287.89 10.36 -9.93 -1.95 0
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427256 135156465 1 OSN4C18H20 ABC4D18E20 23.04 8.03 -9.54 -1.41 0
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427257 135156485 2 NO2C3H5 AB2C3D5 -172.19 5.85 -10.31 0.04 0
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427258 135156496 1 NO3C18H25 AB3C18D25 -121.46 8.28 -8.85 -0.5 0
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427259 135156512 1 ClN2O2H9C14 AB2C2D9E14 -7.06 6.14 -9.75 -1.51 0
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427260 135156513 1 Cl2N7H21C26 A2B7C21D26 143.11 4.94 -8.51 -0.87 0
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427261 135156514 2 ON2C12H17 AB2C12D17 -63.93 3.72 -8.52 -0.27 0
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427262 135156516 1 FON3C21H24 ABC3D21E24 -19.62 4.77 -8.55 -0.49 0
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427263 135156518 1 N2O4C15H20 A2B4C15D20 -153.67 4.32 -9.21 -0.82 0
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427264 135156525 1 N3O3C18H19 A3B3C18D19 -61.38 5.52 -9.04 -0.53 0
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427265 135156533 1 O2N3C23H31 A2B3C23D31 -71.86 7.69 -8.4 -0.04 0
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427266 135156535 3 ClN2H7C9 AB2C7D9 127.9 4.6 -8.54 -0.95 0
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427267 135156540 2 NO2C10H15 AB2C10D15 -184.54 3.44 -9.1 -0.58 0
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427268 135156544 1 N4O4C23H36 A4B4C23D36 -200.19 5.96 -8.34 0.16 0
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427269 135156557 1 Cl2N3O4H27C34 A2B3C4D27E34 -28.58 2.96 -9.29 -1.35 0
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427270 135156558 1 O4N7H41C42 A4B7C41D42 -2.04 2.12 -8.32 -1.41 0
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427271 135156562 1 N3O3C9H11 A3B3C9D11 -87.97 0.78 -8.85 -0.56 0
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427272 135156564 1 N3O5C11H13 A3B5C11D13 -170.19 3.57 -9.44 -0.89 0
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427273 135156568 1 O4N7C41H41 A4B7C41D41 -7.81 5.75 -8.4 -1.26 0
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427274 135156575 1 BrFON2C12H16 ABCD2E12F16 -43.8 2.16 -9.44 -0.88 0
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427275 135156589 1 N3O7C19H27 A3B7C19D27 -303.86 3.52 -8.98 -0.58 0
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427276 135156593 1 SN5C7H7 AB5C7D7 88.75 2.5 -9.12 -1.32 0
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427277 135156599 1 PO4C5N5H6 AB4C5D5E6 -122.03 2.12 -9.3 -1.37 0
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427278 135156635 1 N2O8C35H42 A2B8C35D42 -316.53 9.8 -8.96 -0.87 0
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427279 135156640 1 SF3N6O7C37H43 AB3C6D7E37F43 -328.01 7.73 -8.9 -0.83 0
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427280 135156643 1 FN2O4H11C13 AB2C4D11E13 -171.34 3.83 -10.12 -1.39 0
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427281 135156653 1 N2O8C31H34 A2B8C31D34 -280.66 10.01 -9.4 -0.95 0
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427282 135156656 2 NO4H14C16 AB4C14D16 -224.8 6.54 -9.11 -0.8 0
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427283 135156667 1 SF3O5N7C40H48 AB3C5D7E40F48 -257.78 1.84 -8.0 -0.92 0
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427284 135156668 1 BrO3N4C24H33 AB3C4D24E33 -107.22 13.47 -8.31 0.1 0