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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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407154 135079435 2 OC9H11 AB9C11 -53.11 3.7 -9.05 -0.28 0
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407155 135079443 1 BrO2C17H19 AB2C17D19 -41.65 5.07 -9.36 -0.47 1
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407156 135079448 1 N3O4C10H16 A3B4C10D16 -127.11 3.88 0.0 0.0 0
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407157 135079449 1 N3O4C12H19 A3B4C12D19 -128.86 3.53 -9.59 -0.92 0
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407158 135079456 1 Br2O2C19H28 A2B2C19D28 -114.17 2.75 -9.14 -0.98 0
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407159 135079461 1 NO4C16H21 AB4C16D21 -165.23 2.8 -9.87 -0.2 0
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407160 135079463 1 ClNO3C18H18 ABC3D18E18 -76.81 4.6 -8.7 -0.79 0
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407161 135079465 1 FNO3H14C16 ABC3D14E16 -97.84 2.27 -8.79 -0.8 0
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407162 135079486 1 BrClNO2H21C24 ABCD2E21F24 -4.95 4.84 -8.98 -0.31 0
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407163 135079487 1 OSN2C13H16 ABC2D13E16 16.2 3.7 -8.48 -0.83 0
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407164 135079488 1 NO2C21H29 AB2C21D29 -50.65 2.61 -9.14 0.46 0
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407165 135079489 1 NSO2C22H25 ABC2D22E25 9.92 5.35 -9.33 -0.37 0
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407166 135079490 1 SN2O2H18C19 AB2C2D18E19 33.03 6.63 -8.45 -0.47 0
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407167 135079491 1 IO2S8C136H215 AB2C8D136E215 -341.55 6.68 -8.29 -1.35 0
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407168 135079492 1 OSCl2N3H7C10 ABC2D3E7F10 13.26 5.19 -9.2 -1.31 0
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407169 135079493 1 ClOSF3N3H7C11 ABCD3E3F7G11 -138.33 5.24 -9.33 -1.48 0
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407170 135079495 1 NSO2C22H25 ABC2D22E25 -6.34 7.38 -8.68 -0.48 0
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407171 135079496 1 IMgNH4C5 ABCD4E5 88.52 3.13 -7.35 -2.2 0
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407174 135079499 1 SN2O4C24H26 AB2C4D24E26 -88.65 5.96 -8.51 -0.43 0
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407175 135079500 1 INO2H12C14 ABC2D12E14 13.05 3.54 -9.18 -0.94 1
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407176 135079501 1 NO4C12H16 AB4C12D16 -133.23 2.25 0.0 0.0 0
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407177 135079502 1 NO3C24H39 AB3C24D39 -177.99 4.51 -8.87 0.15 0
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407178 135079503 1 INOH14C16 ABCD14E16 44.67 3.65 -9.19 -0.96 0
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407179 135079504 1 LiOC5H7 ABC5D7 -31.94 3.94 -8.63 0.81 0
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407180 135079505 1 LiO2C11H11 AB2C11D11 -35.03 6.37 -8.72 0.63 0
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407181 135079506 2 NO3C6H13 AB3C6D13 -265.39 1.61 -9.27 1.26 0
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407182 135079507 1 NO4C14H19 AB4C14D19 -132.0 4.91 -9.14 -0.94 0
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407183 135079508 1 FNSO4H14C18 ABCD4E14F18 -114.99 3.91 -9.51 -2.1 0
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407184 135079509 1 IN2O3C13H15 AB2C3D13E15 -61.6 3.57 -9.56 -1.04 1
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407185 135079510 1 IN2O3C13H16 AB2C3D13E16 -45.87 7.51 0.0 0.0 0
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407186 135079511 1 BrON4C17H19 ABC4D17E19 35.75 4.23 -9.01 -1.22 0
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407187 135079512 1 BrFON4C17H18 ABCD4E17F18 -9.28 4.24 -9.12 -1.37 0
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407188 135079513 1 NO6C20H25 AB6C20D25 -249.6 1.74 -8.64 -1.33 0
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407189 135079514 1 PO9C18H31 AB9C18D31 -467.49 1.48 -9.99 0.18 0
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407190 135079515 1 O4H10C11 A4B10C11 -126.21 3.9 -10.32 -1.59 0
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407191 135079516 1 NSSiO2C15H21 ABCD2E15F21 -31.27 4.61 -9.43 -0.54 0
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407192 135079517 1 BrN2H15C16 AB2C15D16 88.44 3.36 -8.32 -0.6 0
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407193 135079518 2 NSO2C13H15 ABC2D13E15 -42.13 3.11 -9.23 -0.42 0
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407194 135079527 1 N4O5H16C18 A4B5C16D18 -24.57 2.33 -9.62 -1.59 0
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407195 135079547 1 FNOH10C14 ABCD10E14 -9.34 3.17 -9.92 -1.3 0
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407196 135079548 1 NO3C15H25 AB3C15D25 -115.29 3.34 -9.34 0.28 0
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407197 135079549 1 NO3C13H23 AB3C13D23 -114.66 1.71 -9.25 0.46 0
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407198 135079550 1 BSiTeC36H45 ABCD36E45 66.09 1.01 -7.54 -0.86 1
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407199 135079551 1 SiTeC12H25 ABC12D25 -24.42 1.54 0.0 0.0 0
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407200 135079553 1 NSSiO2C13H19 ABCD2E13F19 -67.61 3.31 -9.6 -0.28 0
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407201 135079554 1 SN2O4C13H14 AB2C4D13E14 -92.73 10.31 -9.37 -0.72 0
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407202 135079555 1 NSBr2O4H5C8 ABC2D4E5F8 -83.43 4.42 -9.57 -1.31 0
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407203 135079559 1 NSO3H11C12 ABC3D11E12 -90.2 6.05 -8.91 -1.03 0
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407204 135079560 1 S2N3O3C12H13 A2B3C3D12E13 -62.24 9.15 -9.22 -1.23 0
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407205 135079561 1 SN2O2C14H18 AB2C2D14E18 -59.17 4.86 -8.49 -0.49 0
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407206 135079562 1 SN2O2C19H20 AB2C2D19E20 -25.78 4.86 -8.51 -0.5 0
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407207 135079563 1 ClNO2H14C16 ABC2D14E16 -41.36 2.04 -9.58 -0.67 0
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407209 135079565 1 OSN2H14C15 ABC2D14E15 20.82 2.49 -8.68 -0.59 0
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407210 135079566 1 SN2Si2O4C21H34 AB2C2D4E21F34 -189.48 3.51 -7.99 -0.38 0
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407211 135079567 1 NSO3C19H19 ABC3D19E19 1.99 6.47 -9.3 -0.65 0
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407212 135079569 1 OCl2H12C16 AB2C12D16 6.58 4.21 -9.47 -0.62 0
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407213 135079571 1 BrSN2O2C26H31 ABC2D2E26F31 -34.54 3.15 -8.45 -0.45 0
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407214 135079573 1 OSN2H14C17 ABC2D14E17 51.16 7.18 -8.66 -0.64 0
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407215 135079574 1 NSSiO2C13H21 ABCD2E13F21 -103.67 3.97 -9.04 -1.0 0
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407216 135079576 1 SB2N2O2C22H24 AB2C2D2E22F24 -151.5 3.07 -7.79 -0.32 0
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407217 135079581 2 OH8C9 AB8C9 25.18 3.09 -9.04 -0.62 0
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407218 135079585 1 B2O4C15H30 A2B4C15D30 -369.19 3.27 -10.18 1.62 0
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407219 135079589 1 ClSO2N5C19H22 ABC2D5E19F22 32.7 6.97 -8.3 -0.8 0
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407220 135079590 1 NO3H11C17 AB3C11D17 37.96 6.55 -9.73 -1.63 0
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407221 135079592 1 ClNOH14C15 ABCD14E15 -10.65 1.62 -8.74 -0.71 0
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407222 135079593 1 ClNC19H26 ABC19D26 120.05 42.77 -5.79 -2.59 0
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407223 135079614 1 NO4F5C19H20 AB4C5D19E20 -343.65 3.58 -9.72 -2.08 0
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407224 135079615 1 SN2O4C22H28 AB2C4D22E28 -127.66 4.61 -9.32 -0.6 0
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407225 135079617 1 ON3H21C23 AB3C21D23 63.05 1.73 -8.91 -0.46 0
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407226 135079618 1 SN2O2C12H14 AB2C2D12E14 -14.42 1.11 -8.94 -0.62 1
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407227 135079619 1 SN2O2C12H15 AB2C2D12E15 -0.56 4.23 0.0 0.0 0
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407228 135079620 1 O5C20H22 A5B20C22 -13.85 3.92 -8.63 -0.13 0
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407229 135079621 2 OH19C24 AB19C24 292.12 3.65 -8.36 -0.86 0
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407230 135079622 1 SO4C14H18 AB4C14D18 -150.06 5.25 -10.06 -0.66 0
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407231 135079623 1 NO3F6H17C21 AB3C6D17E21 -420.09 3.4 -9.49 -1.31 0
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407232 135079624 1 N2O3H10C14 A2B3C10D14 35.95 6.82 -10.15 -1.94 0
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407233 135079625 2 OC8H8 AB8C8 48.55 2.86 -9.22 -0.19 0
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407234 135079626 1 BO5C38H43 AB5C38D43 -170.16 3.92 -9.37 -0.02 0
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407235 135079627 1 BNSO4C19H26 ABCD4E19F26 -174.85 7.54 -9.43 -0.24 0
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407236 135079628 1 SiN2O2C20H34 AB2C2D20E34 -148.54 2.11 -8.39 0.15 0
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407237 135079629 1 BF2N2O2C19H25 AB2C2D2E19F25 -305.23 7.84 -9.11 -1.13 -1
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407238 135079630 1 BF2N2O2C19H24 AB2C2D2E19F24 -262.19 9.17 0.0 0.0 0
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407239 135079631 1 NO3C13H21 AB3C13D21 -147.21 1.71 -10.5 -0.47 0
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407240 135079632 4 NC6H6 AB6C6 144.15 3.34 -8.49 -0.21 0
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407241 135079633 3 OC10H10 AB10C10 -22.34 2.64 -8.8 -0.02 0
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407242 135079634 1 BNO2C22H28 ABC2D22E28 -138.83 5.44 -8.44 -0.44 0
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407243 135079635 1 NSO6C24H33 ABC6D24E33 -204.56 5.29 -9.47 -0.4 0
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407244 135079636 1 BrN2O4H9C11 AB2C4D9E11 -88.27 5.22 -9.84 -1.9 0
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407245 135079637 1 SiO2C26H36 AB2C26D36 -103.94 1.81 -8.34 -0.45 0
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407246 135079638 2 NOC8H12 ABC8D12 -31.15 1.79 -9.09 -0.67 0
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407247 135079640 1 SiO2C19H36 AB2C19D36 -169.49 3.03 -8.43 0.83 0
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407248 135079641 1 O2C23H24 A2B23C24 -2.22 2.03 -9.32 0.11 0
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407249 135079642 1 BrPO3S3C20H24 ABC3D3E20F24 -134.98 2.46 -8.8 -1.17 0
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407250 135079643 1 BrFON2H4C7 ABCD2E4F7 0.41 3.71 -9.3 -1.19 0
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407251 135079644 1 FNSO3C22H24 ABCD3E22F24 -91.25 7.85 -9.38 -0.48 0
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407252 135079645 1 NSO3C18H25 ABC3D18E25 -83.68 6.11 -9.42 -0.31 0
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407253 135079650 1 NSO2C28H35 ABC2D28E35 -1.69 6.03 -9.14 -0.43 1
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407254 135079670 1 NO2C14H20 AB2C14D20 -67.69 1.89 0.0 0.0 0
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407255 135079671 1 ClNO5C6H14 ABC5D6E14 -272.95 2.44 -10.22 0.67 0
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407256 135079673 1 SeN2O2C14H18 AB2C2D14E18 -48.87 4.23 -8.34 -0.22 0