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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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294400 117458985 1 BrOSN2H9C10 ABCD2E9F10 39.56 2.9 -8.68 -0.8 0
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294401 117459105 1 BrO2C13H17 AB2C13D17 -62.38 5.13 -8.74 -0.17 0
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294402 117459163 1 BrON2C12H17 ABC2D12E17 0.26 0.55 -8.88 -0.24 0
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294403 117459298 1 FSN3O3C11H12 ABC3D3E11F12 -107.92 5.72 -8.88 -1.0 0
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294404 117459383 3 NOC5H5 ABC5D5 -68.33 12.33 -8.95 -0.54 0
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294405 117459479 1 FNO4C14H20 ABC4D14E20 -211.03 7.08 -8.91 -0.38 0
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294406 117459484 1 SO2N3H11C14 AB2C3D11E14 22.55 4.46 -9.08 -1.1 0
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294407 117459521 1 NF2O2C15H21 AB2C2D15E21 -175.02 2.97 -8.54 -0.3 0
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294408 117459535 1 NF2O2C15H21 AB2C2D15E21 -179.03 2.93 -8.43 -0.15 0
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294409 117459544 1 NF2O2C15H21 AB2C2D15E21 -189.27 3.22 -8.83 -0.15 0
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294410 117459550 1 NF2O2C15H21 AB2C2D15E21 -157.2 4.21 -9.16 -0.35 0
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294411 117459604 1 NO3C17H19 AB3C17D19 -61.07 5.71 -9.8 -1.05 0
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294412 117459621 1 NO3C17H19 AB3C17D19 -54.16 4.09 -9.76 -1.3 0
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294413 117459637 1 O2N3C16H19 A2B3C16D19 -18.03 5.52 -9.83 -0.74 0
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294414 117459951 1 N5C16H23 A5B16C23 62.72 3.88 -8.22 0.05 0
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294415 117460019 1 NC20H31 AB20C31 -26.03 1.33 -8.81 0.57 0
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294416 117460095 1 ClNO5C12H12 ABC5D12E12 -173.53 4.32 -9.32 -0.92 0
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294417 117460130 1 ClNO4C13H16 ABC4D13E16 -162.71 4.34 -9.05 -0.5 0
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294418 117460131 1 ClNO4C13H16 ABC4D13E16 -160.86 3.7 -9.12 -0.5 0
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294419 117460151 1 ClNO4C13H16 ABC4D13E16 -156.59 4.21 -9.13 -0.64 0
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294420 117460167 1 ClNO4C13H16 ABC4D13E16 -158.8 4.17 -8.74 -0.17 0
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294421 117460168 1 ClNO4C13H16 ABC4D13E16 -151.64 5.46 -8.77 -0.26 0
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294422 117460229 1 ClNSO3C12H12 ABCD3E12F12 -96.61 5.74 -8.72 -1.03 0
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294423 117460305 1 ClNO3C14H20 ABC3D14E20 -119.57 4.21 -8.57 -0.27 0
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294424 117460350 1 ClNO3C14H20 ABC3D14E20 -110.32 3.53 -8.76 -0.17 0
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294425 117460351 1 ClNO3C14H20 ABC3D14E20 -112.82 2.87 -8.85 -0.29 0
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294426 117460368 1 ClNO3C14H20 ABC3D14E20 -122.84 4.72 -8.9 -0.29 0
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294427 117460413 1 ClNO3C14H20 ABC3D14E20 -123.99 1.64 -8.43 -0.08 0
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294428 117460416 1 ClNO3C14H20 ABC3D14E20 -94.83 4.11 -8.91 -0.15 0
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294429 117460420 1 ClNO3C14H20 ABC3D14E20 -93.25 2.16 -8.37 -0.03 0
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294430 117460544 1 BrFON3H9C10 ABCD3E9F10 2.6 3.01 -9.66 -1.04 0
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294431 117460557 1 BrFON3H9C10 ABCD3E9F10 -28.88 4.25 -9.11 -0.58 0
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294432 117460654 1 BrNO3C11H12 ABC3D11E12 -82.09 2.24 -9.19 -0.81 0
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294433 117460748 1 BrNO2C12H16 ABC2D12E16 -45.22 5.76 -8.71 -0.1 0
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294434 117460920 1 BrNO2C12H16 ABC2D12E16 -59.07 2.9 -8.72 -0.26 0
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294435 117460980 1 BrNO2C12H16 ABC2D12E16 -15.22 2.96 -8.98 -0.24 0
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294436 117460991 1 BrNO2C12H16 ABC2D12E16 -17.49 2.28 -9.07 -0.24 0
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294437 117461003 1 BrNO2C12H16 ABC2D12E16 -70.41 2.79 -9.12 -0.28 0
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294438 117461119 1 BrNO2C12H16 ABC2D12E16 -69.59 2.0 -8.6 -0.12 0
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294439 117461195 1 BrNO2C12H16 ABC2D12E16 -58.09 2.65 -8.7 -0.37 0
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294440 117461199 1 BrNO2C12H16 ABC2D12E16 -64.99 3.65 -8.44 -0.04 0
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294441 117461215 1 BrNO2C12H16 ABC2D12E16 -60.61 1.95 -9.13 -0.25 0
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294442 117461295 1 BrFNC13H17 ABCD13E17 -47.56 1.84 -9.03 -0.22 0
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294443 117461308 1 BrFNC13H17 ABCD13E17 -46.16 1.81 -9.24 -0.25 0
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294444 117461348 1 BrFNC13H17 ABCD13E17 -24.67 1.99 -9.47 -0.36 0
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294445 117461458 1 BrNOC13H20 ABCD13E20 -56.49 3.8 -8.96 -0.17 0
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294446 117461621 1 O5H14C16 A5B14C16 -129.44 5.88 -9.08 -1.21 0
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294447 117461722 1 SO6C12H14 AB6C12D14 -229.93 10.49 -9.33 -0.96 0
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294448 117461758 1 FSO4C13H15 ABC4D13E15 -205.71 5.8 -10.33 -1.18 0
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294449 117461833 1 N2O3C16H18 A2B3C16D18 -52.83 2.14 -9.34 -0.63 0