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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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16181 460993 1 N5O5C11H13 A5B5C11D13 -111.23 4.61 -9.87 -0.74 0
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16182 460995 1 SN2O3C25H34 AB2C3D25E34 -142.0 3.68 -8.86 -0.44 0
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16183 461007 1 N2O3C30H38 A2B3C30D38 -135.39 5.91 -9.19 -0.86 0
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16184 461008 1 N2O3C34H40 A2B3C34D40 -119.13 3.15 -8.69 -0.67 0
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16185 461009 1 N2O3C34H40 A2B3C34D40 -118.41 6.51 -9.0 -0.82 0
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16186 461037 2 OC10H16 AB10C16 -123.18 4.41 -9.19 0.82 0
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16187 461076 3 NO2C15H19 AB2C15D19 -217.44 10.26 -8.96 -0.38 0
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16188 461079 1 NO5H25C28 AB5C25D28 -134.09 7.76 -9.28 -1.01 0
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16189 461100 1 SO4H26C31 AB4C26D31 -57.55 7.03 -8.74 -0.86 0
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16190 461173 1 NO3C21H21 AB3C21D21 -69.41 5.39 -8.48 -0.39 0
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16191 461174 1 NO4C15H15 AB4C15D15 -127.31 4.57 -9.56 -0.17 0
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16193 461198 1 N4O6C47H60 A4B6C47D60 -242.85 3.64 -8.6 -0.28 0
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16194 461200 1 N4O7C47H58 A4B7C47D58 -256.12 4.02 -9.03 -0.42 0
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16195 461237 1 N9C27H53 A9B27C53 34.83 3.82 -8.59 -0.03 0
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16196 461262 1 O6C37H60 A6B37C60 -385.57 1.64 -9.78 0.44 0
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16197 461263 1 O7C34H54 A7B34C54 -391.83 6.06 -10.03 0.12 0
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16198 461303 1 BCl2O2N4C9H11 AB2C2D4E9F11 -99.06 3.62 -9.88 -1.42 0
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16199 461304 1 BClO2N4C12H16 ABC2D4E12F16 -96.88 5.09 -9.71 -1.01 0
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16200 461348 1 SN8O20C51H82 AB8C20D51E82 -907.85 13.22 -7.78 -1.94 0
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16201 461351 1 FN7O17C69H84 AB7C17D69E84 -645.98 1.69 -8.41 -1.74 0
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16202 461390 1 N9O14C66H105 A9B14C66D105 -677.07 7.75 -8.7 -0.06 0
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16203 461406 1 FSO3N4H23C24 ABC3D4E23F24 -86.54 13.2 -9.0 -1.04 0
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16204 461453 1 ClNO2F3H11C17 ABC2D3E11F17 -163.13 3.07 -9.16 -1.45 0
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16205 461551 1 Cl4N5H31C33 A4B5C31D33 80.02 6.66 -8.21 -1.46 0
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16206 461565 1 F2O4N6C25H36 A2B4C6D25E36 -207.06 5.75 -9.12 -0.18 0
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16207 461584 2 NH8C10 AB8C10 83.32 2.22 -8.82 -0.68 0
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16208 461588 1 CuN4H32C40 AB4C32D40 183.34 11.18 0.0 0.0 1
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16209 461602 1 ClNSO4C16H16 ABCD4E16F16 -119.49 2.97 -8.93 -0.87 0
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16210 461606 1 ClSN2O2C18H23 ABC2D2E18F23 -35.51 3.62 -8.77 -0.62 0
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16211 461684 1 SN2O19C38H42 AB2C19D38E42 -736.1 8.84 -9.31 -2.26 0
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16212 461689 1 NO17C37H39 AB17C37D39 -661.57 10.79 -9.19 -2.05 0
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16213 461745 1 ClNSO3C20H24 ABCD3E20F24 -122.76 6.06 -8.96 -0.84 0
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16214 461773 2 ClON3C13H13 ABC3D13E13 -31.81 7.37 -9.24 -1.07 0
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16215 461779 1 O2N3H9C12 A2B3C9D12 23.0 3.8 -9.31 -1.77 0
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16216 461812 2 N2Na2S2O7H10C17 A2B2C2D7E10F17 -468.28 95.97 -6.76 -3.46 0
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16217 461875 1 F2N3O4C19H19 A2B3C4D19E19 -200.75 13.0 -9.5 -1.44 0
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16218 461879 1 FN3O4C22H28 AB3C4D22E28 -160.89 13.09 -8.78 -1.03 0
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16219 461921 1 ClO2N5C18H20 AB2C5D18E20 -13.96 3.56 -7.93 -0.66 0
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16220 461928 1 N6O27C84H134 A6B27C84D134 -1130.86 5.56 -7.64 -1.54 0
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16221 461987 1 N7O8C45H51 A7B8C45D51 -221.55 3.88 -8.88 -1.31 0
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16222 462046 1 PN2O5C8H9 AB2C5D8E9 -217.11 3.49 -9.44 -1.21 0
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16223 462184 1 Cl2N6C13H18 A2B6C13D18 83.05 4.01 -8.04 -1.8 0
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16224 462186 1 ClN3O5C26H28 AB3C5D26E28 -172.95 9.8 -8.83 -1.92 0
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16225 462192 1 O17C29H35 A17B29C35 -659.12 1.86 0.0 0.0 1
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16226 462193 1 BrOSN2H19C20 ABCD2E19F20 21.93 7.71 -9.17 -0.98 0
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16228 462225 1 N7O8C42H53 A7B8C42D53 -292.55 10.0 -8.98 -0.51 0
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16229 462245 1 SO2N3C14H15 AB2C3D14E15 -8.72 7.11 -8.25 -0.77 0
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16230 462348 1 N2O7C31H42 A2B7C31D42 -232.24 1.27 -8.73 0.05 0
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16231 462364 1 ONa2S2N3C12H12 AB2C2D3E12F12 -77.13 9.12 0.0 0.0 1
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16232 462372 1 NNa2S2O10H11C17 AB2C2D10E11F17 -433.41 6.83 -8.33 -0.74 0
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16233 462388 1 FSN2O4C10H13 ABC2D4E10F13 -221.35 4.0 -9.74 -0.92 0
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16234 462462 1 FN2H13C16 AB2C13D16 27.97 1.81 -8.5 -0.63 0
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16235 462475 1 O4N5C25H51 A4B5C25D51 -260.49 5.15 -9.38 0.23 0
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16236 462486 1 NO5C25H49 AB5C25D49 -314.18 0.9 -9.74 0.64 0
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16237 462487 1 N8O11C60H92 A8B11C60D92 -535.62 4.67 -9.25 0.18 0
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16238 462493 2 N4O8C25H41 A4B8C25D41 -754.01 12.5 -9.37 -0.44 0
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16239 462625 2 OSC6H6 ABC6D6 -29.28 1.86 -8.71 -1.66 0
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16240 462633 1 N2S2O4H10C11 A2B2C4D10E11 -27.8 5.06 -8.96 -1.93 0
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16241 462636 2 SO2C7H7 AB2C7D7 -112.39 1.1 -8.82 -1.75 0
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16242 462649 1 OS2N3C6H7 AB2C3D6E7 55.3 2.68 -8.86 -1.8 0
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16243 462651 1 NS3O5C14H15 AB3C5D14E15 -169.72 6.98 -8.61 -1.54 0
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16244 462658 2 NOSC4H5 ABCD4E5 41.7 2.31 -8.51 -1.54 0
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16245 462695 1 O7C19H20 A7B19C20 -225.42 5.48 -8.24 -0.49 0
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16246 462704 1 O4N5C34H41 A4B5C34D41 -125.13 4.04 -8.47 -0.21 0
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16247 462739 1 N4O7C32H44 A4B7C32D44 -292.52 4.19 -9.25 -0.1 0
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16248 462788 1 N3O7C34H43 A3B7C34D43 -276.59 3.05 -8.83 -0.25 0
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16249 462792 1 N4O7C41H48 A4B7C41D48 -262.09 3.19 -9.31 -0.23 0
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16250 462793 1 N6O6C43H50 A6B6C43D50 -198.04 5.27 -9.15 -0.33 0
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16251 462794 1 N4O7C41H48 A4B7C41D48 -150.5 4.78 -8.58 -0.1 0
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16252 462795 1 N4O7C42H50 A4B7C42D50 -242.73 1.16 -8.69 -0.15 0
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16253 462796 1 N4O7C39H52 A4B7C39D52 -278.71 9.22 -9.08 -0.2 0
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16254 462797 2 N3O3C22H26 A3B3C22D26 -190.46 2.13 -8.88 -0.24 0
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16255 462812 1 N6O7C49H56 A6B7C49D56 -221.29 7.77 -8.78 -0.35 0
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16256 462816 1 N2O5C11H16 A2B5C11D16 -225.84 6.16 -9.63 -0.4 0
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16257 462843 1 SO3F6H12C20 AB3C6D12E20 -364.87 2.19 -8.97 -1.9 0
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16258 462845 1 SO3H16C19 AB3C16D19 -54.8 6.69 -8.28 -0.7 0
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16259 462884 1 SN2O4C28H34 AB2C4D28E34 -134.09 6.93 -8.47 -0.2 0
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16260 462886 1 NS2O4C29H35 AB2C4D29E35 -143.59 5.3 -8.54 -0.27 0
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16261 463011 1 ON4C14H17 AB4C14D17 17.29 2.3 0.0 0.0 1
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16263 463063 1 ClN5H20C26 AB5C20D26 157.65 4.97 -8.17 -0.92 0
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16264 463068 1 Cl2N5H19C26 A2B5C19D26 148.69 3.71 -8.18 -0.95 0
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16265 463100 1 ClON3C23H26 ABC3D23E26 17.7 0.51 -8.62 -0.64 0
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16266 463181 1 ClNO4C19H24 ABC4D19E24 -171.93 6.44 -8.72 -0.45 0
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16267 463196 1 FNSO6H22C26 ABCD6E22F26 -185.03 9.32 -8.65 -0.84 0
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16268 463197 1 SN2O6H22C27 AB2C6D22E27 -101.02 8.08 -9.03 -1.46 0
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16269 463198 1 SN2O6H24C29 AB2C6D24E29 -108.61 5.66 -8.26 -1.44 0
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16270 463199 1 SN3O5C22H25 AB3C5D22E25 -119.39 12.2 -8.23 -0.26 0
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16271 463200 1 SN3O5C27H27 AB3C5D27E27 -91.55 14.99 -8.32 -0.8 0
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16272 463201 1 SN3O7C25H31 AB3C7D25E31 -196.51 11.56 -8.29 -0.06 0
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16273 463215 1 ClNSO5H30C31 ABCD5E30F31 -116.35 5.63 -9.45 -1.25 0
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16274 463221 1 SCl2O2N3C16H19 AB2C2D3E16F19 -36.71 5.11 -9.27 -0.92 0
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16275 463242 1 OS2N3C10H11 AB2C3D10E11 42.96 1.65 -9.12 -0.67 0
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16276 463295 2 N2O4C20H27 A2B4C20D27 -326.87 3.88 -8.78 -0.51 0
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16277 463335 1 N2O3C29H38 A2B3C29D38 -90.76 2.65 -9.16 0.14 0
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16278 463336 1 N2O3C31H42 A2B3C31D42 -128.52 0.4 -9.24 0.24 0
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16279 463337 1 N2O3C33H46 A2B3C33D46 -140.61 0.97 -9.12 0.3 0
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16280 463340 1 F2N2O3H32C33 A2B2C3D32E33 -139.83 1.35 -9.45 -0.29 0
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16281 463342 1 Cl2N2O3H32C33 A2B2C3D32E33 -58.89 4.32 -9.21 -0.25 0
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16282 463435 1 BrOSF2N3C16H16 ABCD2E3F16G16 -61.34 3.25 -9.16 -0.7 0
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16283 463437 1 BrClFOSN3C16H16 ABCDEF3G16H16 -27.24 3.91 -8.71 -0.61 0