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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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447186 135281029 1 F2N3O5C18H21 A2B3C5D18E21 -215.88 6.32 -9.85 -1.16 0
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447187 135281030 1 F2N3O8H13C16 A2B3C8D13E16 -272.81 3.06 -10.11 -1.22 0
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447188 135281040 2 NOC10H16 ABC10D16 -108.26 4.14 -9.22 0.1 0
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447189 135281049 2 ON3C11H14 AB3C11D14 -10.44 5.04 -8.36 -0.68 0
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447190 135281056 1 O2N7C25H33 A2B7C25D33 -8.79 3.93 -8.45 -0.78 0
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447191 135281062 1 F3O3N4H19C20 A3B3C4D19E20 -214.39 5.93 -9.39 -1.16 0
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447192 135281063 1 S8C13H28 A8B13C28 -19.83 1.3 -8.96 -0.26 0
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447193 135281069 1 N2F3O4H9C10 A2B3C4D9E10 -296.93 4.66 -10.4 -1.3 0
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447194 135281072 1 ClN3O3H16C18 AB3C3D16E18 -28.83 3.02 -8.84 -0.86 1
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447195 135281074 1 PN4O6C33H52 AB4C6D33E52 -259.34 7.14 0.0 0.0 1
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447196 135281075 1 PN3O6C27H37 AB3C6D27E37 -235.86 4.46 0.0 0.0 0
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447197 135281105 1 PF3N3O6C25H31 AB3C3D6E25F31 -413.63 5.63 -7.93 -0.89 0
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447198 135281106 1 NO3C10H17 AB3C10D17 -130.33 6.45 -9.43 0.13 0
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447199 135281108 1 ClPN3O6C30H43 ABC3D6E30F43 -252.11 17.43 -8.62 -1.62 0
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447200 135281115 1 N7H17C23 A7B17C23 171.83 3.05 -8.64 -1.32 0
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447201 135281119 1 SO2N8H20C22 AB2C8D20E22 77.04 4.37 -8.82 -1.37 0
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447202 135281138 1 FON7H16C21 ABC7D16E21 72.03 1.24 -9.1 -1.45 0
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447203 135281148 1 BrO3N4C14H15 AB3C4D14E15 -64.61 4.29 -8.85 -1.04 0
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447204 135281154 1 ClON7H24C26 ABC7D24E26 93.7 0.48 -8.76 -1.18 0
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447205 135281167 1 BrO2N4H11C15 AB2C4D11E15 81.81 3.83 -9.07 -1.56 0
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447206 135281172 1 ON7H25C26 AB7C25D26 103.23 3.13 -8.68 -1.08 0
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447207 135281187 2 NO2C10H15 AB2C10D15 -157.35 2.18 -9.35 -1.51 0
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447208 135281188 2 NO2C9H11 AB2C9D11 -100.07 2.92 -8.98 -1.56 0
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447209 135281194 1 BrSO2N4C17H17 ABC2D4E17F17 -6.21 3.76 -8.82 -1.06 0
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447210 135281206 2 SN4O6H22C26 AB4C6D22E26 -320.71 7.74 -8.89 -1.01 0
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447211 135281207 1 ClN2O2C11H11 AB2C2D11E11 -33.18 8.22 -8.4 -0.38 0
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447212 135281209 1 BrClF2O3H8C10 ABC2D3E8F10 -200.15 4.67 -9.1 -1.23 0
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447213 135281223 1 ClIN4O4C20H20 ABC4D4E20F20 -72.99 7.1 -8.26 -1.08 0
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447214 135281228 1 ClO4N5C22H26 AB4C5D22E26 -93.04 2.91 -8.01 -0.5 0
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447215 135281238 1 ClSN5O5C24H26 ABC5D5E24F26 -101.2 9.23 -8.48 -0.67 0
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447216 135281242 1 BrClO2C11H12 ABC2D11E12 -65.7 5.1 -9.04 -1.09 0
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447217 135281262 1 ClO2N5C25H26 AB2C5D25E26 25.28 5.0 -7.94 -0.45 0
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447218 135281274 1 BrClO3C10H10 ABC3D10E10 -94.51 6.92 -8.72 -1.0 0
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447219 135281282 1 ClO2N3H14C15 AB2C3D14E15 -11.2 6.67 -8.04 -0.5 0
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447220 135281286 1 O2N5C9H13 A2B5C9D13 -55.67 3.31 -8.93 0.1 0
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447221 135281293 1 Cl2O2N7C23H23 A2B2C7D23E23 26.35 9.18 -8.09 -0.61 0
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447222 135281299 1 ClO2N8C28H33 AB2C8D28E33 39.96 7.77 -7.95 -0.48 0
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447223 135281305 1 ClSO3N4C22H25 ABC3D4E22F25 -37.59 7.98 -7.94 -0.46 0
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447224 135281308 1 O2N4C11H16 A2B4C11D16 -69.7 6.87 -8.56 0.42 0
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447225 135281311 1 N2O4C27H48 A2B4C27D48 -235.81 6.62 -9.61 -0.06 0
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447226 135281315 1 N2O4C21H38 A2B4C21D38 -225.72 2.55 -9.73 0.09 0
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447227 135281318 2 NO4C6H9 AB4C6D9 -323.18 4.9 -10.27 -0.59 0
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447228 135281335 2 NO4C7H11 AB4C7D11 -336.43 8.46 -9.95 -1.05 0
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447229 135281343 1 NSO3C6H9 ABC3D6E9 -110.32 6.41 -9.98 -0.79 0
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447230 135281345 1 NSO3C6H9 ABC3D6E9 -107.18 5.2 -9.89 -0.82 0
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447231 135281347 1 ClO4N8C32H39 AB4C8D32E39 -73.95 4.25 -8.51 -0.75 0
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447232 135281353 1 ClO2N7C23H24 AB2C7D23E24 36.05 7.1 -8.0 -0.45 0
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447233 135281355 1 N2O4C25H46 A2B4C25D46 -249.24 6.71 -9.94 -0.07 0
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447234 135281361 1 NO6H23C27 AB6C23D27 -161.71 3.47 -8.92 -0.62 0
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447235 135281365 1 ClN3C18H30 AB3C18D30 -35.59 4.93 -8.92 0.02 0
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447236 135281367 1 N2O3C11H12 A2B3C11D12 -84.41 7.51 -9.27 -0.61 0
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447237 135281377 1 BrClO3N4C18H20 ABC3D4E18F20 -58.64 6.35 -8.09 -1.95 0
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447238 135281378 1 ClSO4N5C23H28 ABC4D5E23F28 -63.84 8.38 -8.07 -0.44 0
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447239 135281384 1 ClO2N9C27H34 AB2C9D27E34 67.17 5.02 -8.29 -0.4 0
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447240 135281385 1 ClN3O5H22C25 AB3C5D22E25 -110.44 5.19 -8.67 -1.26 0
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447241 135281395 1 Br2O2N3C22H25 A2B2C3D22E25 -8.86 6.53 -8.03 -0.57 0
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447242 135281396 1 BrO2N3C22H24 AB2C3D22E24 15.11 4.7 -7.98 -0.3 0
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447243 135281414 1 NCl2O4C30H31 AB2C4D30E31 -111.46 6.88 -9.28 -0.76 0
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447244 135281422 1 O2N3F7H8C13 A2B3C7D8E13 -355.49 1.34 -10.23 -1.71 0
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447245 135281430 1 NCl2O4H25C26 AB2C4D25E26 -132.27 3.49 -9.38 -0.86 0
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447246 135281439 1 NCl2O5C29H29 AB2C5D29E29 -171.88 4.52 -9.49 -1.08 0
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447247 135281443 1 FNCl2O5H28C30 ABC2D5E28F30 -207.0 7.35 -9.66 -1.3 0
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447248 135281457 1 O2N3F5H14C15 A2B3C5D14E15 -250.35 3.28 -10.16 -1.63 0
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447249 135281462 1 NCl2O4H27C29 AB2C4D27E29 -100.09 6.8 -9.25 -1.19 0
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447250 135281473 1 ClO2N4C27H29 AB2C4D27E29 9.53 8.54 -8.18 -0.47 0
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447251 135281474 1 ClO2N4C27H29 AB2C4D27E29 9.55 8.57 -8.19 -0.47 0
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447252 135281476 1 O2N3F5H12C14 A2B3C5D12E14 -246.12 3.56 -10.16 -1.63 0
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447253 135281485 1 ClFO5C22H22 ABC5D22E22 -232.12 4.93 -9.91 -1.61 0
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447254 135281494 1 FSCl2N2O7C34H35 ABC2D2E7F34G35 -291.36 6.99 -9.57 -1.25 0
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447255 135281504 1 BrNCl2O4H16C23 ABC2D4E16F23 -108.81 1.83 -9.66 -1.24 0
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447256 135281506 1 Cl2N2O5C31H32 A2B2C5D31E32 -146.98 5.71 -9.41 -0.95 0
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447257 135281513 1 FCl2N2O5H21C30 AB2C2D5E21F30 -150.48 7.15 -9.66 -1.67 0
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447258 135281526 1 NCl2F2O6C33H33 AB2C2D6E33F33 -323.9 9.12 -9.56 -1.56 0
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447259 135281527 1 ClN3O3H22C24 AB3C3D22E24 -22.85 3.55 -8.65 -1.09 0
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447260 135281531 1 BrFNCl2O4H29C30 ABCD2E4F29G30 -174.99 3.4 -9.54 -1.24 0