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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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404189 135065374 1 OC17H18 AB17C18 -13.34 2.28 -8.73 -0.34 0
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404190 135065375 1 NO2C23H23 AB2C23D23 -30.97 3.08 -9.15 -0.16 0
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404191 135065376 1 NO2C17H19 AB2C17D19 -57.64 3.02 -9.29 -0.25 0
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404192 135065377 1 FNO6C29H42 ABC6D29E42 -344.29 5.03 -9.8 -0.08 0
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404193 135065378 1 ZnP4N8O12C56H68 AB4C8D12E56F68 -315.75 16.09 -5.8 -2.59 0
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404194 135065379 2 P2N4O6C28H35 A2B4C6D28E35 -300.29 10.58 -7.44 -1.63 0
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404195 135065380 1 ZnN8C192H232 AB8C192D232 332.64 6.82 -7.2 -2.01 0
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404196 135065381 2 N4C96H117 A4B96C117 274.39 8.8 -7.65 -2.19 0
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404197 135065382 1 FNO4C14H14 ABC4D14E14 -191.92 3.84 -10.41 -1.55 0
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404198 135065383 1 FOC11H13 ABC11D13 -72.01 2.06 -9.3 0.1 0
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404199 135065384 1 FO4C18H21 AB4C18D21 -206.17 3.66 -9.36 -0.15 0
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404200 135065385 1 FO2C12H13 AB2C12D13 -104.72 0.6 -9.59 0.0 0
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404201 135065386 1 NF2O3H17C23 AB2C3D17E23 -129.43 3.57 -9.11 -0.86 0
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404202 135065387 1 FNSO2C12H14 ABCD2E12F14 -95.54 5.14 -9.48 -0.46 0
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404203 135065388 1 SN2O7C20H20 AB2C7D20E20 -143.61 11.57 -9.75 -1.36 0
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404204 135065390 1 INOC22H22 ABCD22E22 46.51 1.54 -8.7 -0.88 0
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404205 135065391 1 ON2C28H36 AB2C28D36 19.03 3.69 -8.45 -0.52 0
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404206 135065392 1 ClN3C12H14 AB3C12D14 62.35 4.47 -9.74 -0.16 0
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404207 135065394 1 PN2O4C25H25 AB2C4D25E25 -107.47 6.23 -9.14 -0.5 0
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404208 135065395 1 PN2O4C25H25 AB2C4D25E25 -105.03 2.67 -8.84 -0.38 0
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404209 135065409 1 N2C13H20 A2B13C20 35.96 2.32 -9.43 1.24 0
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404210 135065433 1 ClN4C17H19 AB4C17D19 77.86 7.43 -8.55 -0.04 0
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404211 135065434 1 ClN3C18H18 AB3C18D18 69.86 6.45 -9.2 -0.16 0
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404212 135065444 1 ClON4H13C18 ABC4D13E18 103.34 11.66 -7.92 -2.03 0
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404213 135065482 1 BrN2O2H19C25 AB2C2D19E25 55.3 2.98 -8.93 -0.96 0
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404214 135065483 1 OF4H14C18 AB4C14D18 -173.4 4.64 -9.73 -0.35 0
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404215 135065484 2 O3C16H16 A3B16C16 -134.2 2.61 -9.29 -0.36 0
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404216 135065485 1 NOH15C21 ABC15D21 91.49 2.62 -8.5 -0.3 0
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404217 135065486 1 NOH15C18 ABC15D18 72.36 2.23 -8.49 -0.18 0
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404218 135065487 1 NOC18H21 ABC18D21 42.29 0.51 -9.26 0.2 0
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404219 135065488 1 NOC20H25 ABC20D25 33.26 0.54 -9.26 0.21 0
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404220 135065489 1 N5O6H19C20 A5B6C19D20 -185.78 8.79 -9.1 -1.15 0
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404221 135065492 2 OF3H6C9 AB3C6D9 -346.41 4.84 -10.15 -1.16 0
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404222 135065493 1 O2N3C20H21 A2B3C20D21 -11.65 1.17 -8.57 -1.01 0
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404223 135065495 1 N2O3H22C27 A2B3C22D27 11.93 3.0 -8.91 -1.05 0
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404224 135065497 1 O4C17H24 A4B17C24 -158.13 8.53 -9.6 -0.08 0
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404225 135065499 1 OSC16H22 ABC16D22 1.82 4.45 -8.34 -0.17 0
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404226 135065500 1 OSiN3C28H29 ABC3D28E29 86.21 2.62 -8.32 -0.27 0
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404227 135065501 1 SO3F4C14H18 AB3C4D14E18 -346.6 6.29 -10.31 -0.67 0
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404228 135065503 1 NPO4C29H38 ABC4D29E38 -198.74 5.76 -8.51 -0.63 0
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404229 135065504 1 PN2O2C20H25 AB2C2D20E25 -69.87 4.71 -9.26 -0.36 0
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404230 135065505 1 PN2O3C30H31 AB2C3D30E31 -76.54 3.54 -9.04 -0.2 0
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404231 135065506 1 PO2C24H37 AB2C24D37 -128.56 4.86 -9.67 0.03 0
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404232 135065507 1 PO2C27H35 AB2C27D35 -91.64 3.14 -9.13 -0.43 1
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404233 135065509 1 NPO3C16H25 ABC3D16E25 -152.86 2.26 0.0 0.0 0
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404234 135065510 1 PO2H17C18 AB2C17D18 -78.37 4.21 -9.1 -0.7 0
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404235 135065511 1 NPO5C22H30 ABC5D22E30 -240.29 3.08 -9.47 -0.22 0
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404236 135065512 1 PO3C14H21 AB3C14D21 -174.97 3.9 -9.99 -0.28 0
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404237 135065513 1 PN2O2C26H31 AB2C2D26E31 -69.54 4.46 -8.9 -0.76 0
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404238 135065514 1 PO4C22H31 AB4C22D31 -226.34 5.63 -8.62 -0.24 0
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404239 135065515 1 PN2O7C29H33 AB2C7D29E33 -292.6 3.79 -8.96 -0.3 0
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404240 135065517 1 SeO2C18H18 AB2C18D18 -16.3 0.9 -8.78 -0.4 0
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404241 135065518 1 SeO2C19H20 AB2C19D20 -26.38 3.29 -8.38 -0.13 0
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404242 135065519 1 OS3C23H34 AB3C23D34 -48.39 2.74 -8.52 -0.18 0
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404243 135065520 1 N2O3C12H16 A2B3C12D16 -98.38 2.8 -8.99 0.15 0
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404245 135065523 1 O5C18H28 A5B18C28 -240.15 3.98 -9.62 -0.5 0
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404246 135065524 1 NO2C20H25 AB2C20D25 -70.1 1.98 -9.17 0.29 0
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404247 135065526 1 BrN2O4C17H21 AB2C4D17E21 -169.28 2.51 -8.87 -0.29 0
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404248 135065577 1 ClNSO2C15H24 ABCD2E15F24 -105.69 5.4 -9.52 -0.29 0
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404249 135065598 1 SO2N3C13H15 AB2C3D13E15 -21.52 5.44 -8.35 -0.19 0
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404250 135065614 1 N2S2O4H14C17 A2B2C4D14E17 -46.27 2.67 -8.72 -0.93 0
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404251 135065615 1 N2O3C14H16 A2B3C14D16 -70.2 3.38 -8.68 0.07 0
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404252 135065616 1 PN2O4C11H13 AB2C4D11E13 -132.65 2.62 -8.82 -0.44 0
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404253 135065618 1 ClSN4O5H15C22 ABC4D5E15F22 74.38 5.54 -9.02 -2.45 0
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404254 135065619 1 ClN2O2H21C22 AB2C2D21E22 -10.2 3.35 -8.94 -0.9 0
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404255 135065620 1 BrN2O2H21C22 AB2C2D21E22 1.93 3.47 -8.94 -0.92 0
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404256 135065621 1 N2O2H18C19 A2B2C18D19 0.22 5.53 -9.32 -0.51 0
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404257 135065622 1 BrN2H15C21 AB2C15D21 122.01 1.67 -8.74 -0.94 0
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404258 135065623 1 N2O2H20C23 A2B2C20D23 47.01 4.58 -8.4 -0.6 0
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404259 135065624 1 BrClN2H12C16 ABC2D12E16 82.32 5.57 -9.02 -0.44 0
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404260 135065625 1 ON2C19H20 AB2C19D20 36.34 3.25 -8.43 -0.22 0
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404261 135065626 1 SN2C15H16 AB2C15D16 92.56 3.71 -8.34 0.17 0
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404262 135065627 1 ClH3C4N4O4 AB3C4D4E4 42.43 8.87 -11.02 -1.74 0
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404263 135065628 2 ClNH4C5 ABC4D5 49.69 4.25 -9.22 -0.56 0
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404264 135065630 1 OSiN2F3C22H25 ABC2D3E22F25 -160.59 2.95 -9.37 -0.39 0