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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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36400 8005637 1 ClNO2H14C18 ABC2D14E18 -6.52 2.03 -8.87 -0.59 0
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36401 8005643 1 SN3O5C19H21 AB3C5D19E21 -126.73 7.88 -9.15 -0.68 -1
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36402 8005740 1 OSN2H11C15 ABC2D11E15 64.48 10.22 0.0 0.0 0
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36403 8005746 1 S2N3O3H17C19 A2B3C3D17E19 -9.21 3.78 -9.23 -0.82 0
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36404 8005790 1 SO2N3C21H25 AB2C3D21E25 -33.87 4.66 -8.43 -0.32 0
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36405 8005843 1 ON2C21H26 AB2C21D26 -15.03 3.35 -9.47 0.02 -1
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36406 8005855 1 N2O3C14H21 A2B3C14D21 -129.83 2.91 0.0 0.0 0
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36407 8005934 1 N3O5C19H19 A3B5C19D19 -142.47 3.86 -8.89 -0.4 0
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36408 8006048 2 OSN2H9C10 ABC2D9E10 77.68 5.09 -9.02 -1.16 0
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36409 8006075 1 BrOSN4H15C17 ABCD4E15F17 66.07 5.52 -8.94 -1.0 0
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36410 8006083 1 SO3N5C18H19 AB3C5D18E19 -70.22 1.45 -8.57 -0.87 0
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36411 8006094 1 O4N5H19C22 A4B5C19D22 -28.97 3.6 -8.54 -1.17 0
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36412 8006164 1 ClFSN3O3H11C17 ABCD3E3F11G17 -10.82 4.62 -9.45 -2.18 0
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36413 8006206 1 ClSN3O4H16C17 ABC3D4E16F17 -62.02 7.3 -9.52 -1.13 0
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36414 8006208 1 ClOS2N4C17H19 ABC2D4E17F19 28.72 2.08 -8.92 -1.02 0
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36415 8006213 1 N2S2O5C18H22 A2B2C5D18E22 -163.18 3.42 -8.93 -0.66 0
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36416 8006237 1 N3O4H21C22 A3B4C21D22 -107.82 2.32 -8.56 -1.38 0
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36417 8006240 1 BrN2O4C16H17 AB2C4D16E17 -119.42 4.57 -9.66 -1.1 0
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36418 8006293 1 O2N3C20H21 A2B3C20D21 31.21 4.88 -8.75 -0.37 0
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36419 8006303 1 OSF3N5H12C17 ABC3D5E12F17 -40.35 5.71 -9.7 -1.44 0
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36420 8006309 1 FSO2N3H20C21 ABC2D3E20F21 -52.83 4.0 -9.02 -0.98 0
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36421 8006319 1 N2O3H18C19 A2B3C18D19 -66.95 2.29 -9.46 -1.32 0
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36422 8006327 1 SO2N3C13H15 AB2C3D13E15 -35.55 9.88 -9.43 -0.9 0
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36423 8006343 2 ON2C10H13 AB2C10D13 -65.21 4.67 -8.83 -0.13 0
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36424 8006366 1 ClSO2N3H16C19 ABC2D3E16F19 14.49 7.12 -8.91 -1.22 0
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36425 8006370 1 ClSO2N6C16H19 ABC2D6E16F19 -10.64 5.39 -9.6 -1.29 0
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36426 8006377 1 ClN2O2H13C19 AB2C2D13E19 4.38 2.49 -8.94 -1.23 0
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36427 8006430 1 OF3N6H15C17 AB3C6D15E17 -114.82 4.13 -9.02 -0.81 0
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36428 8006431 1 OSN7C18H21 ABC7D18E21 41.95 8.51 -9.18 -0.84 0
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36429 8006547 1 O2N5H11C13 A2B5C11D13 40.97 2.52 -9.16 -1.6 0
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36430 8006613 1 SN3O5C19H23 AB3C5D19E23 -165.96 4.92 -9.38 -1.41 0
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36431 8006678 1 ClNO2C15H18 ABC2D15E18 -102.78 5.11 -9.38 -0.17 0
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36432 8006719 1 FO2N3H20C21 AB2C3D20E21 -56.05 1.84 -8.86 -0.99 0
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36433 8006765 1 ON2C14H16 AB2C14D16 19.68 1.88 -8.62 -0.15 0
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36434 8006814 1 NO3C19H25 AB3C19D25 -108.83 4.68 -8.22 -0.16 -1
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36435 8006870 1 N3O7H18C19 A3B7C18D19 -155.83 11.05 0.0 0.0 0
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36436 8006927 1 O2N5C16H27 A2B5C16D27 -91.75 6.65 -8.97 -0.36 0
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36437 8006950 1 SO2N3C15H19 AB2C3D15E19 12.01 7.0 -9.32 -1.44 0
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36438 8006954 1 ClOSN2H15C16 ABCD2E15F16 1.01 1.45 -9.26 -0.66 0
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36439 8006958 2 N2C11H13 A2B11C13 83.25 5.37 -8.2 0.06 0
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36440 8006960 1 ON5C23H27 AB5C23D27 41.54 9.92 -8.14 0.23 0
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36441 8006962 1 SO2N3C17H17 AB2C3D17E17 53.83 6.21 -9.4 -1.45 0
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36442 8006964 1 ClNSO3H16C18 ABCD3E16F18 -87.1 3.07 -9.33 -0.98 0
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36443 8006969 1 N2O2F3H13C16 A2B2C3D13E16 -198.92 2.47 -9.2 -0.89 0
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36444 8006971 1 ClNO3C19H20 ABC3D19E20 -104.89 4.75 -9.23 -0.86 0
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36445 8006974 1 FSN2O4C20H23 ABC2D4E20F23 -182.84 9.96 -9.14 -0.92 0
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36446 8006976 1 ClS2O3H17C18 AB2C3D17E18 -78.31 3.29 -8.96 -0.54 0
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36447 8006978 1 ON2S3H18C19 AB2C3D18E19 29.81 5.21 -8.38 -0.58 0
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36448 8006980 1 Cl2N2O4H16C19 A2B2C4D16E19 -126.58 1.75 -9.16 -0.61 0
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36450 8006984 1 OCl2N2H14C16 AB2C2D14E16 -8.04 4.95 -9.56 -1.2 0