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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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402419 135055906 1 NO3C15H23 AB3C15D23 -156.39 2.8 -9.42 0.03 0
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402420 135055908 1 SN2O6C29H40 AB2C6D29E40 -193.85 4.81 -8.49 -0.71 0
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402421 135055910 2 NO3C16H20 AB3C16D20 -175.33 3.77 -9.05 -0.7 0
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402422 135055911 1 ClN2O6C29H39 AB2C6D29E39 -203.85 3.67 -9.57 -0.75 0
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402423 135055912 1 NCl3O4C17H18 AB3C4D17E18 -178.17 1.18 -8.81 -0.71 0
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402424 135055914 2 OC8H8 AB8C8 -50.3 2.71 -9.26 -0.05 0
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402425 135055916 1 NO3C20H29 AB3C20D29 -123.26 0.97 -7.92 -0.17 0
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402426 135055920 1 SN2O6C14H18 AB2C6D14E18 -166.33 3.8 -10.14 -2.0 0
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402427 135055921 2 NSO2H10C11 ABC2D10E11 -86.07 8.48 -8.51 -0.63 0
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402428 135055930 1 Cl2O3C8H10 A2B3C8D10 -134.03 2.01 -10.3 -1.01 0
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402429 135055932 1 Cl2O2H12C13 A2B2C12D13 -72.72 2.52 -9.87 -0.67 0
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402430 135055933 1 NOCl2C14H15 ABC2D14E15 -39.84 1.18 -9.55 -0.47 0
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402431 135055934 1 SiO3C20H30 AB3C20D30 -156.27 2.6 -8.75 -0.7 0
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402432 135055935 1 O3C15H20 A3B15C20 -104.24 2.09 -9.42 0.29 0
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402433 135055941 1 ClO3C14H17 AB3C14D17 -118.3 2.31 -9.58 -0.46 0
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402434 135055944 1 ClN2O3C20H21 AB2C3D20E21 -82.33 5.17 -8.91 -0.38 0
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402435 135055950 1 N3O5C22H29 A3B5C22D29 -126.85 9.65 -8.83 -0.71 0
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402436 135055951 1 NSO3C20H29 ABC3D20E29 -124.25 6.06 -9.19 -0.24 0
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402437 135055952 1 NSO3C16H23 ABC3D16E23 -86.54 6.17 -8.88 -0.29 0
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402438 135055961 1 N2O4C21H26 A2B4C21D26 -92.42 5.74 -9.44 -0.23 0
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402439 135055962 1 N2O4C15H22 A2B4C15D22 -118.97 6.23 -9.57 -0.3 0
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402440 135055963 1 IO2C14H17 AB2C14D17 -68.9 5.96 -9.45 -0.92 0
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402441 135055964 1 NF4O5C24H25 AB4C5D24E25 -395.62 6.61 -10.17 -0.72 0
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402442 135055977 3 OC4H6 AB4C6 -148.14 4.2 -10.07 -0.25 0
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402443 135055978 1 NO5H15C18 AB5C15D18 -55.99 5.02 -8.87 -0.75 -1
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402444 135055983 1 CoSiO3C30H42 ABC3D30E42 -85.23 20.33 0.0 0.0 0
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402445 135055994 1 PN2O6C20H31 AB2C6D20E31 -315.36 2.37 -8.44 0.46 0
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402446 135055996 1 BrFNO4C22H23 ABCD4E22F23 -187.53 2.74 -8.79 -0.4 0
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402447 135055999 1 ON2C26H26 AB2C26D26 45.17 2.98 -8.15 0.03 0
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402448 135056003 1 NC9H15 AB9C15 11.51 1.66 -9.11 0.85 0
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402449 135056008 1 N2O5C12H22 A2B5C12D22 -225.4 1.21 -9.85 -0.22 0
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402450 135056009 2 NO3C10H14 AB3C10D14 -171.73 4.99 -9.66 -1.04 0
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402451 135056013 1 SO2C21H24 AB2C21D24 -59.29 1.06 -8.59 -0.44 0
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402452 135056014 1 NOC16H27 ABC16D27 -66.94 3.19 -8.36 0.45 0
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402453 135056015 1 NOH23C24 ABC23D24 19.93 3.89 -8.28 0.11 0
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402454 135056021 1 O2C17H24 A2B17C24 -103.24 4.49 -9.42 0.11 1
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402455 135056023 1 N2O3C8H15 A2B3C8D15 -90.73 3.86 0.0 0.0 0
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402456 135056031 1 PO8C14H21 AB8C14D21 -392.63 5.92 -9.49 -0.85 0
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402457 135056035 1 SN4O6C23H28 AB4C6D23E28 -91.86 10.8 -8.22 -1.61 0
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402458 135056037 1 NPO4C28H36 ABC4D28E36 -189.26 3.64 -9.03 0.08 0
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402459 135056039 1 O7C25H32 A7B25C32 -299.88 2.8 -9.02 -0.59 0
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402460 135056041 1 NO2H23C28 AB2C23D28 34.25 4.85 -8.7 -0.38 0
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402461 135056048 1 NO6C24H35 AB6C24D35 -310.15 3.04 -9.08 0.17 0
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402462 135056049 1 O2H20C23 A2B20C23 -9.65 1.24 -9.46 -0.5 0
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402463 135056053 1 O2C17H22 A2B17C22 -82.68 1.49 -9.78 -0.6 0
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402464 135056060 1 NSO2C21H25 ABC2D21E25 -43.38 1.78 -8.52 -0.01 0
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402465 135056066 1 NO3C13H15 AB3C13D15 -14.91 3.9 -9.92 -0.76 0
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402466 135056081 1 SN2O7C17H26 AB2C7D17E26 -244.03 5.62 -9.7 -0.29 0
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402467 135056090 1 SO3H12C16 AB3C12D16 -19.5 3.19 -8.48 -0.66 0
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402468 135056091 1 NSO4H13C18 ABC4D13E18 5.21 4.42 -8.74 -1.6 0
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402470 135056112 1 O5H28C49 A5B28C49 43.37 1.72 -8.42 -1.71 0
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402471 135056117 1 O5C19H24 A5B19C24 -180.08 7.61 -9.69 -0.73 0
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402472 135056127 1 O3C16H16 A3B16C16 -80.61 1.67 -9.31 -0.54 0
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402473 135056131 1 O4C17H22 A4B17C22 -163.68 2.1 -9.15 -0.09 0
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402474 135056132 1 O2C13H18 A2B13C18 -41.38 3.15 -9.28 -0.25 0
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402475 135056135 1 OC17H20 AB17C20 -7.18 2.44 -9.05 0.22 0
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402476 135056136 1 NSO3C18H23 ABC3D18E23 -103.22 3.47 -9.02 -0.34 0
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402477 135056142 1 N2O5C13H24 A2B5C13D24 -236.25 2.26 -9.51 -0.13 0
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402478 135056143 3 NO2C7H11 AB2C7D11 -271.94 3.46 -9.56 -0.26 0
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402479 135056144 1 NSO2C19H25 ABC2D19E25 -45.12 5.46 -8.9 -0.29 0
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402480 135056150 1 NO2C17H17 AB2C17D17 -29.83 3.03 -9.05 -0.15 0
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402481 135056151 1 NF3O3C21H22 AB3C3D21E22 -213.04 5.08 -9.21 -0.23 0
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402482 135056152 1 NOF3C18H18 ABC3D18E18 -149.88 5.15 -9.23 -0.88 0
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402483 135056155 1 NO2F3C17H20 AB2C3D17E20 -194.93 6.18 -9.25 -0.28 0
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402484 135056156 1 SN2O4H20C22 AB2C4D20E22 15.49 4.25 -9.62 -1.84 0
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402485 135056163 1 FNOH20C24 ABCD20E24 -0.93 3.41 -8.81 -0.16 0
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402486 135056169 2 C8H9 A8B9 16.74 1.25 -8.56 -0.18 0
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402487 135056172 1 O3C14H22 A3B14C22 -149.26 1.8 -9.86 0.53 0
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402488 135056173 1 FNS2O3C19H24 ABC2D3E19F24 -123.14 6.03 -8.31 -0.57 0
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402489 135056177 1 FN2O3C16H17 AB2C3D16E17 -146.19 5.43 -9.5 -1.46 0
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402490 135056178 1 ClFNC5H13 ABCD5E13 -108.72 4.85 -10.55 1.98 0
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402491 135056181 1 FN2S2O3C30H39 AB2C2D3E30F39 -103.21 6.37 -8.54 -0.34 0
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402492 135056184 1 N3O4C22H29 A3B4C22D29 -120.66 4.03 -8.82 -0.04 0
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402493 135056185 1 NO3C25H25 AB3C25D25 -41.76 3.72 -8.76 -0.67 0
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402494 135056186 1 NO4C20H23 AB4C20D23 -123.64 3.11 -8.74 -0.77 0