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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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41353 8145711 1 FO3N4C21H27 AB3C4D21E27 -143.35 2.19 -8.72 -1.12 1
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41354 8145712 1 SN3O3C23H28 AB3C3D23E28 -69.91 10.19 0.0 0.0 0
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41355 8145713 1 SN3O3C23H27 AB3C3D23E27 -83.57 3.01 -8.42 -0.61 0
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41356 8145715 1 FO3N4C21H27 AB3C4D21E27 -143.13 2.76 -8.67 -1.14 1
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41357 8145716 1 FSO2N4C21H24 ABC2D4E21F24 -6.22 4.85 0.0 0.0 1
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41358 8145718 1 SN3O3C22H26 AB3C3D22E26 -51.08 16.25 0.0 0.0 0
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41359 8145720 1 N3O3C20H25 A3B3C20D25 -73.96 2.45 -9.1 -0.69 1
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41360 8145721 1 FSN5C20H23 ABC5D20E23 75.42 5.28 0.0 0.0 0
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41361 8145724 1 FSN5C21H24 ABC5D21E24 48.36 4.95 -8.34 -0.26 0
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41362 8145726 1 FN2O2C21H25 AB2C2D21E25 -69.54 5.39 -8.12 0.04 1
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41363 8145727 1 SN3O3C22H26 AB3C3D22E26 -56.09 14.99 0.0 0.0 1
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41364 8145730 1 FN3O4C21H21 AB3C4D21E21 -102.41 6.89 0.0 0.0 0
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41365 8145731 1 FN3O4H20C21 AB3C4D20E21 -116.31 7.89 -8.36 -1.41 1
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41366 8145732 1 FO2N5C18H19 AB2C5D18E19 59.81 6.28 0.0 0.0 0
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41367 8145733 1 FO2N5C18H18 AB2C5D18E18 44.66 4.32 -8.66 -1.53 1
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41368 8145734 1 ClSN5C21H25 ABC5D21E25 101.52 5.68 0.0 0.0 0
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41369 8145735 1 ClSN5C21H24 ABC5D21E24 80.9 4.8 -8.44 -0.46 0
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41370 8145737 1 ClOSN5C20H22 ABCD5E20F22 62.99 5.81 -8.47 -0.58 0
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41371 8145741 1 ClO2N4C17H23 AB2C4D17E23 -73.27 4.37 -8.48 -0.03 0
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41372 8145742 2 OC9H12 AB9C12 -76.18 4.24 -8.59 0.06 1
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41373 8145743 1 ClSN6C18H20 ABC6D18E20 127.1 3.76 0.0 0.0 0
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41374 8145744 1 ClSN6C18H19 ABC6D18E19 133.1 1.9 -8.65 -0.88 1
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41375 8145747 1 ClON2C19H24 ABC2D19E24 -1.98 2.54 0.0 0.0 1
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41376 8145749 1 ClN3O3C21H23 AB3C3D21E23 -50.43 9.7 0.0 0.0 0
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41377 8145751 2 NO2C9H11 AB2C9D11 -138.49 3.66 -9.43 -0.27 1
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41378 8145752 1 ClSN4C15H20 ABC4D15E20 66.95 4.9 0.0 0.0 0
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41379 8145757 1 ClN3O3C21H22 AB3C3D21E22 -69.81 7.08 -8.92 -0.71 0
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41380 8145758 1 O2N5H15C18 A2B5C15D18 52.67 3.62 -9.45 -1.05 1
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41381 8145759 1 N3O5C23H28 A3B5C23D28 -114.64 7.78 0.0 0.0 1
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41382 8145761 1 Cl2O2N3H18C19 A2B2C3D18E19 -10.11 7.36 0.0 0.0 1
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41383 8145766 1 ClS2N5C17H19 AB2C5D17E19 109.38 3.84 0.0 0.0 0
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41384 8145769 1 N3O5C23H27 A3B5C23D27 -135.79 6.7 -8.47 -0.41 1
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41385 8145771 1 ClOSN4C19H20 ABCD4E19F20 77.72 5.49 0.0 0.0 0
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41386 8145772 1 ClOSN4C19H19 ABCD4E19F19 62.41 5.2 -8.76 -1.02 1
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41387 8145773 1 ClSN5C21H25 ABC5D21E25 102.8 6.37 0.0 0.0 0
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41388 8145774 1 ClSN5C21H24 ABC5D21E24 86.18 6.99 -8.36 -0.35 1
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41389 8145783 1 N3O3C22H26 A3B3C22D26 -46.58 9.03 0.0 0.0 1
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41390 8145787 1 ClO2N4C19H26 AB2C4D19E26 -58.17 5.2 0.0 0.0 0
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41391 8145790 1 ClO2N4C22H25 AB2C4D22E25 -45.21 4.66 -8.44 -0.19 1
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41392 8145794 1 ClO2N4C22H26 AB2C4D22E26 -24.17 4.38 0.0 0.0 0
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41393 8145800 1 N3O4C23H23 A3B4C23D23 -63.62 10.04 -8.88 -0.84 1
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41394 8145801 1 ClO2N4C21H24 AB2C4D21E24 -16.33 4.62 0.0 0.0 1
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41395 8145806 1 ClS2N5C19H23 AB2C5D19E23 114.29 5.53 0.0 0.0 0
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41396 8145807 1 ClS2N5C19H22 AB2C5D19E22 92.5 5.98 -8.4 -1.06 0
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41397 8145808 1 O2N3C16H21 A2B3C16D21 -61.15 6.31 -9.23 -0.02 1
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41398 8145811 1 ClO2N3C20H21 AB2C3D20E21 -10.06 6.08 0.0 0.0 0
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41399 8145813 1 O2N3C21H25 A2B3C21D25 -35.46 7.85 -9.39 -0.18 1
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41400 8145814 1 ClN4O4H18C19 AB4C4D18E19 -15.14 10.19 0.0 0.0 0
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41401 8145815 1 ClN4O4H17C19 AB4C4D17E19 -17.44 4.86 -8.48 -2.0 0
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41402 8145817 1 OSCl2N6H10C16 ABC2D6E10F16 97.31 3.11 -9.65 -1.63 1
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41403 8145818 1 ClSN5C21H25 ABC5D21E25 106.61 6.31 0.0 0.0 0
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41404 8145819 1 ClSN5C21H24 ABC5D21E24 89.51 6.66 -8.38 -0.58 1
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41405 8145821 1 ClOSN4C20H22 ABCD4E20F22 70.96 6.76 0.0 0.0 0
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41406 8145822 1 ClOSN4C20H21 ABCD4E20F21 55.48 2.3 -8.64 -0.51 0
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41407 8145823 1 ClN3O3C18H18 AB3C3D18E18 -75.73 6.93 -9.07 -0.57 1
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41408 8145829 1 ClSN5C17H23 ABC5D17E23 101.12 6.45 0.0 0.0 0
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41409 8145830 1 ClSN5C17H22 ABC5D17E22 87.83 6.65 -8.35 -0.17 1
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41410 8145832 1 ClFSN5C20H22 ABCD5E20F22 66.56 7.38 0.0 0.0 0
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41411 8145833 1 ClFSN5C20H21 ABCD5E20F21 53.46 7.31 -8.37 -0.9 1
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41412 8145835 1 ClSN5C21H25 ABC5D21E25 103.58 6.75 0.0 0.0 0
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41413 8145837 1 ClOSN6H13C17 ABCD6E13F17 100.0 3.44 -9.31 -1.47 1
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41414 8145839 1 ClS2N4C14H18 AB2C4D14E18 84.99 9.64 0.0 0.0 0
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41415 8145845 1 ClOSN6H13C17 ABCD6E13F17 99.77 4.01 -9.27 -1.48 1
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41416 8145846 1 ClSN5C21H25 ABC5D21E25 101.97 5.36 0.0 0.0 0
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41417 8145848 1 O3N4C15H20 A3B4C15D20 -101.67 3.62 -8.92 -0.33 0
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41418 8145849 1 OSN4C22H28 ABC4D22E28 46.17 6.32 -8.68 -0.33 1
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41419 8145850 1 ClSN5C20H23 ABC5D20E23 108.84 10.92 0.0 0.0 1
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41420 8145852 1 ClO3N4C16H20 AB3C4D16E20 -76.37 11.29 0.0 0.0 0
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41421 8145854 1 N3O3C21H25 A3B3C21D25 -75.94 3.24 -8.75 -0.47 1
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41422 8145855 1 ClO3N4C18H24 AB3C4D18E24 -94.1 3.46 0.0 0.0 0
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41423 8145856 1 ClO3N4C18H23 AB3C4D18E23 -100.37 4.45 -8.54 -1.28 0
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41424 8145857 1 OSN4C22H28 ABC4D22E28 41.86 6.04 -8.74 -0.42 1
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41425 8145859 1 ClOSN5C20H23 ABCD5E20F23 63.81 2.49 0.0 0.0 1
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41426 8145861 1 ClO3N4C18H24 AB3C4D18E24 -93.79 2.08 0.0 0.0 0
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41427 8145862 1 ClO3N4C18H23 AB3C4D18E23 -96.58 4.45 -8.65 -1.2 1
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41428 8145866 1 ClO3N4C19H24 AB3C4D19E24 -90.86 4.03 0.0 0.0 0
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41429 8145867 1 ClO3N4C19H23 AB3C4D19E23 -94.72 3.55 -8.57 -1.3 1
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41430 8145868 1 ClO3N4C15H18 AB3C4D15E18 -76.33 4.0 0.0 0.0 0
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41431 8145869 1 ClO3N4C15H17 AB3C4D15E17 -81.84 1.18 -8.61 -1.33 0
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41432 8145870 1 O3N4C19H28 A3B4C19D28 -111.41 2.34 -8.75 -0.37 1
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41433 8145871 1 ClSN5C21H25 ABC5D21E25 99.18 5.91 0.0 0.0 0
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41434 8145872 1 ClSN5C21H24 ABC5D21E24 83.32 6.26 -8.41 -0.44 0
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41435 8145873 2 N2O2C10H11 A2B2C10D11 -105.77 5.52 -8.43 -0.44 1
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41436 8145874 1 O2N5C17H26 A2B5C17D26 -43.14 15.23 0.0 0.0 0
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41437 8145882 1 O3N4C20H22 A3B4C20D22 -73.08 8.34 -8.14 -0.52 1
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41438 8145886 1 ClO3N4C21H28 AB3C4D21E28 -96.92 9.3 0.0 0.0 0
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41439 8145887 1 ClO3N4C21H27 AB3C4D21E27 -110.44 0.81 -8.63 -1.21 1
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41440 8145891 1 ClO3N4C21H28 AB3C4D21E28 -94.04 11.06 0.0 0.0 0
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41441 8145892 1 ClO3N4C21H27 AB3C4D21E27 -54.65 3.96 -8.38 -1.25 1
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41442 8145893 1 ClO3N4C21H28 AB3C4D21E28 -93.04 11.29 0.0 0.0 0
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41443 8145894 1 ClO3N4C21H27 AB3C4D21E27 -106.51 4.11 -8.6 -1.2 1
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41444 8145895 1 ClSN5C21H25 ABC5D21E25 99.53 2.15 0.0 0.0 1
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41445 8145899 1 ClO2N5C18H19 AB2C5D18E19 95.96 5.78 0.0 0.0 0
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41446 8145900 1 ClO2N5C18H18 AB2C5D18E18 80.47 3.86 -8.69 -1.56 2
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41447 8145901 1 N4O4C19H28 A4B4C19D28 -121.05 4.81 -8.54 -0.15 0
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41448 8145902 1 N4O4C19H26 A4B4C19D26 -128.17 1.14 -8.71 0.02 0
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41449 8145903 1 O2N3H21C25 A2B3C21D25 33.84 2.25 -8.55 -1.24 0
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41450 8145907 1 O2N3C17H17 A2B3C17D17 -2.9 2.5 -9.51 -0.54 2
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41451 8145908 1 N2O5C20H24 A2B5C20D24 -45.01 2.38 -4.3 -0.43 0
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41452 8145909 1 N2O5C20H22 A2B5C20D22 -120.09 2.72 -8.51 -0.21 2